Glycoside
...
GD018778

Name:
None

Formula:
C36H32O15

Smiles:
CC(=O)OC[C@@H]1OC(Oc2cc(C)cc3c2C(=O)C=C(c2c(C)cc4c(c2O)C(=O)C=CC4=O)C3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C=CC3=O)=CC2=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 1 FractionCSP3: 0.33
AlogP: 2.87 Num_rotatable_bonds: 8
MolWt: 704.64 Num_heavy_atoms: 51
TPSA: 212.17 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
AD13183
Formula: C22H14O6

Smiles:
Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C=CC3=O)=CC2=O
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.09
AlogP: 3.11 Num_rotatable_bonds: 1
MolWt: 374.35 Num_heavy_atoms: 28
TPSA: 108.74 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O