Glycoside
...
GD031520

Name:
None

Formula:
C115H199O42N29

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)CCCC(C)=O)[C@H](C)O)C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCCNC(N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](C)CC)[C@H](C)O)[C@H](C)O)[C@H](C)CC

Aglycone:
CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)CCCC(C)=O)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCCNC(N)N)C(=O)NC(C(N)=O)C(C)C)C(C)O)C(C)CC)C(C)O)C(C)O)C(C)CC

Sugarmoiety:
CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 71 RingCount: 6
HBD: 44 FractionCSP3: 0.78
AlogP: -16.41 Num_rotatable_bonds: 77
MolWt: 2660.02 Num_heavy_atoms: 186
TPSA: 1126.08 NumAromaticRings: 0

Unique Aglycone
AD20297
Formula: C95H166O27N28

Smiles:
CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)CCCC(C)=O)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCCNC(N)N)C(=O)NC(C(N)=O)C(C)C)C(C)O)C(C)CC)C(C)O)C(C)O)C(C)CC
HBA: 55 RingCount: 3
HBD: 35 FractionCSP3: 0.75
AlogP: -10.03 Num_rotatable_bonds: 67
MolWt: 2132.54 Num_heavy_atoms: 150
TPSA: 879.76 NumAromaticRings: 0

Sugarmoiety
SD02895

CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O