Glycoside
...
GD005594

Name:
{3,4,5-trihydroxy-6-[(4-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula:
C44H50O22

Smiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)[C@H](CO)O[C@]2(CO)O[C@@H]2O[C@H](COC(=O)C=Cc3cc(OC)c(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C=CC(=O)O)cc(OC)c1O.COc1cc(C=CC(=O)O)ccc1O

Sugarmoiety:
OCC1OC(O)C(CO)(OC2OC(CO)C(O)C(O)C2O)O1

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 8 FractionCSP3: 0.39
AlogP: 0.56 Num_rotatable_bonds: 19
MolWt: 930.86 Num_heavy_atoms: 66
TPSA: 314.58 NumAromaticRings: 3

Unique Aglycone
AD00175
Formula: C10H10O4

Smiles:
COc1cc(C=CC(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
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
AD03983
Formula: C11H12O5

Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.51 Num_rotatable_bonds: 4
MolWt: 224.21 Num_heavy_atoms: 16
TPSA: 75.99 NumAromaticRings: 1

Sugarmoiety
SD01020

OCC1OC(O)C(CO)(OC2OC(CO)C(O)C(O)C2O)O1