Glycoside
...
GD134992

Name:
None

Formula:
C36H38O19

Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)cc4o3)cc2OC)ccc1O

Aglycone:
COC(=O)CC(=O)O.COc1cc(C(O)C(CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 8 FractionCSP3: 0.36
AlogP: 0.57 Num_rotatable_bonds: 15
MolWt: 774.68 Num_heavy_atoms: 55
TPSA: 290.8 NumAromaticRings: 4

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD53515
Formula: C27H26O11

Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.22
AlogP: 3.08 Num_rotatable_bonds: 9
MolWt: 526.49 Num_heavy_atoms: 38
TPSA: 168.28 NumAromaticRings: 4

Sugarmoiety
SD00017

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