Glycoside
...
GD125249

Name:
None

Formula:
C30H28O17

Smiles:
CC(=O)OCC1OC(Oc2cc(C3Oc4cc(O)cc(O)c4C=C3O)cc(O)c2O)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O

Aglycone:
COC(C)=O.O=C(O)c1cc(O)c(O)c(O)c1.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 10 FractionCSP3: 0.27
AlogP: 1.27 Num_rotatable_bonds: 7
MolWt: 660.54 Num_heavy_atoms: 47
TPSA: 282.59 NumAromaticRings: 3

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
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD45104
Formula: C15H12O7

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1
HBA: 7 RingCount: 3
HBD: 6 FractionCSP3: 0.07
AlogP: 2.25 Num_rotatable_bonds: 1
MolWt: 304.25 Num_heavy_atoms: 22
TPSA: 130.61 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O