Glycoside
...
GD034641

Name:
None

Formula:
C24H28O10N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)Cc1c[nH]c2ccccc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.46
AlogP: 0.91 Num_rotatable_bonds: 8
MolWt: 504.49 Num_heavy_atoms: 36
TPSA: 159.32 NumAromaticRings: 2

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
AD19588
Formula: C10H10ON2

Smiles:
NC(=O)Cc1c[nH]c2ccccc12
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.1
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 58.88 NumAromaticRings: 2

Sugarmoiety
SD00889

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