Glycoside
...
GD010413

Name:
None

Formula:
C39H57O14N7

Smiles:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O

Aglycone:
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(=O)NC(CO)C(N)=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 3
HBD: 15 FractionCSP3: 0.54
AlogP: -4.71 Num_rotatable_bonds: 22
MolWt: 847.92 Num_heavy_atoms: 60
TPSA: 354.45 NumAromaticRings: 2

Unique Aglycone
AD08043
Formula: C33H47O9N7

Smiles:
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(=O)NC(CO)C(N)=O
HBA: 16 RingCount: 2
HBD: 12 FractionCSP3: 0.45
AlogP: -2.54 Num_rotatable_bonds: 19
MolWt: 685.78 Num_heavy_atoms: 49
TPSA: 275.3 NumAromaticRings: 2

Sugarmoiety
SD00003

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