Glycoside
...
GD119295

Name:
(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-5,6-dihydro-4H-chromen-6-yl]oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula:
C39H44O18

Smiles:
COC1=Cc2oc(-c3ccc(O)cc3)cc(=O)c2CC1C1OC(CO)C(O)C(O)C1OC1OC(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COC1=Cc2oc(-c3ccc(O)cc3)cc(=O)c2CC1

Sugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 8 FractionCSP3: 0.44
AlogP: -0.17 Num_rotatable_bonds: 12
MolWt: 800.76 Num_heavy_atoms: 57
TPSA: 273.73 NumAromaticRings: 3

Unique Aglycone
AD03982
Formula: C12H14O5

Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.6 Num_rotatable_bonds: 4
MolWt: 238.24 Num_heavy_atoms: 17
TPSA: 64.99 NumAromaticRings: 1
AD47765
Formula: C16H14O4

Smiles:
COC1=Cc2oc(-c3ccc(O)cc3)cc(=O)c2CC1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.19
AlogP: 2.95 Num_rotatable_bonds: 2
MolWt: 270.28 Num_heavy_atoms: 20
TPSA: 59.67 NumAromaticRings: 2

Sugarmoiety
SD01057

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O