Glycoside
...
GD009323

Name:
None

Formula:
C103H157O36N29S3

Smiles:
CCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CC(=O)O)C(N)=O)C(C)O)C(C)C

Aglycone:
CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CCC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CC(=O)O)C(N)=O)C(C)O)C(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 65 RingCount: 5
HBD: 41 FractionCSP3: 0.59
AlogP: -13.7 Num_rotatable_bonds: 75
MolWt: 2473.76 Num_heavy_atoms: 171
TPSA: 1061.59 NumAromaticRings: 3

Unique Aglycone
AD07319
Formula: C97H147O31N29S3

Smiles:
CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CCC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CC(=O)O)C(N)=O)C(C)O)C(C)C
HBA: 60 RingCount: 4
HBD: 38 FractionCSP3: 0.57
AlogP: -11.13 Num_rotatable_bonds: 73
MolWt: 2311.62 Num_heavy_atoms: 160
TPSA: 985.43 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O