Glycoside
...
GD028923

Name:
None

Formula:
C212H362O65N33PS

Smiles:
CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1[C@H](OC[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](COC(=O)COCCOCCOCCNC(=O)CCCN2C(=O)CC(SCCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(N)=O)[C@H](C)CC)[C@H](C)CC)C(C)C)C2=O)[C@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

Aglycone:
CCC(C)C(NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCSC1CC(=O)N(CCCC(=O)NCCOCCOCCOCC(=O)OC)C1=O)C(C)C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(N)=O)C(C)CC.CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OC(=O)CCCCCCCCC.CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC.O=P(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 98 RingCount: 3
HBD: 47 FractionCSP3: 0.77
AlogP: 8.3 Num_rotatable_bonds: 183
MolWt: 4476.43 Num_heavy_atoms: 312
TPSA: 1513.06 NumAromaticRings: 1

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
AD01212
Formula: C27H51O6N

Smiles:
CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OC(=O)CCCCCCCCC
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.89
AlogP: 5.91 Num_rotatable_bonds: 24
MolWt: 485.71 Num_heavy_atoms: 34
TPSA: 112.93 NumAromaticRings: 0
AD01213
Formula: C24H46O4

Smiles:
CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 7.43 Num_rotatable_bonds: 21
MolWt: 398.63 Num_heavy_atoms: 28
TPSA: 63.6 NumAromaticRings: 0
AD01214
Formula: C24H47O3N

Smiles:
CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 6.84 Num_rotatable_bonds: 21
MolWt: 397.64 Num_heavy_atoms: 28
TPSA: 69.39 NumAromaticRings: 0
AD18858
Formula: C132H215O47N31S

Smiles:
CCC(C)C(NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCSC1CC(=O)N(CCCC(=O)NCCOCCOCCOCC(=O)OC)C1=O)C(C)C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(N)=O)C(C)CC
HBA: 78 RingCount: 2
HBD: 42 FractionCSP3: 0.68
AlogP: -11.35 Num_rotatable_bonds: 109
MolWt: 3020.41 Num_heavy_atoms: 211
TPSA: 1227.14 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O