Glycoside
...
GD101464

Name:
None

Formula:
C23H28O10N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc3c(c2)C(=O)NCC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccc2c(c1)C(=O)NCC2

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.52
AlogP: 0.47 Num_rotatable_bonds: 7
MolWt: 492.48 Num_heavy_atoms: 35
TPSA: 155.56 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD42952
Formula: C9H10ON2

Smiles:
Nc1ccc2c(c1)C(=O)NCC2
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.22
AlogP: 0.55 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 55.12 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O