Glycoside
...
GD131066

Name:
Patuletin 3-(6''-P-Coumaroylglucoside)

Formula:
C31H28O15

Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c(=O)c2c1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 8 FractionCSP3: 0.23
AlogP: 1.44 Num_rotatable_bonds: 8
MolWt: 640.55 Num_heavy_atoms: 46
TPSA: 246.04 NumAromaticRings: 4

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD01718
Formula: C16H12O8

Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.06
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 332.26 Num_heavy_atoms: 24
TPSA: 140.59 NumAromaticRings: 3

Sugarmoiety
SD00017

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