Glycoside
...
GD027045

Name:
None

Formula:
C46H56O13N8

Smiles:
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

Aglycone:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 15 FractionCSP3: 0.39
AlogP: -1.26 Num_rotatable_bonds: 21
MolWt: 929.0 Num_heavy_atoms: 67
TPSA: 353.77 NumAromaticRings: 5

Unique Aglycone
AD17797
Formula: C40H46O8N8

Smiles:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
HBA: 16 RingCount: 5
HBD: 12 FractionCSP3: 0.3
AlogP: 1.27 Num_rotatable_bonds: 18
MolWt: 766.86 Num_heavy_atoms: 56
TPSA: 274.62 NumAromaticRings: 5

Sugarmoiety
SD00003

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