Glycoside
GD139778
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C32H30O14Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc3o2)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.58 | Num_heavy_atoms: | 46 |
| TPSA: | 214.81 | 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 |
AD11730
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
