Glycoside
...
GD009192

Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula:
C39H48O17

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OC[C@H]3[C@H](CO)Cc4cc(OC)c(O)c(OC)c4[C@H]3c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Aglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.46
AlogP: 1.85 Num_rotatable_bonds: 15
MolWt: 788.8 Num_heavy_atoms: 56
TPSA: 241.75 NumAromaticRings: 3

Unique Aglycone
AD01165
Formula: C22H28O8

Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: 2.04 Num_rotatable_bonds: 7
MolWt: 420.46 Num_heavy_atoms: 30
TPSA: 117.84 NumAromaticRings: 2
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

Sugarmoiety
SD00017

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