Glycoside
...
GD009925

Name:
None

Formula:
C34H42O18

Smiles:
CC(=O)CC[C@@H]1O[C@H](Oc2ccc(C=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCC(C)=O.COC(C)=O.O=Cc1ccc(O)cc1

Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 0 FractionCSP3: 0.59
AlogP: 1.3 Num_rotatable_bonds: 15
MolWt: 738.69 Num_heavy_atoms: 52
TPSA: 228.86 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
AD01669
Formula: C7H6O2

Smiles:
O=Cc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD01670
Formula: C4H8O

Smiles:
CCC(C)=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.99 Num_rotatable_bonds: 1
MolWt: 72.11 Num_heavy_atoms: 5
TPSA: 17.07 NumAromaticRings: 0

Sugarmoiety
SD00077

CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O