Glycoside
GD116357
Name:
6-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoateFormula:
C31H32O15Smiles:
COc1ccc(C(=O)c2c(O)cc(O)c(C3OC(CO)C(OC(=O)C=Cc4cc(O)c(O)c(OC)c4)C(O)C3O)c2O)cc1OCAglycone:
COc1cc(C=CC(=O)O)cc(O)c1O.COc1ccc(C(=O)c2c(O)cc(O)cc2O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 644.58 | Num_heavy_atoms: | 46 |
| TPSA: | 242.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD46190
Formula: C10H10O5
Smiles:
COc1cc(C=CC(=O)O)cc(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD46191
Formula: C15H14O6
Smiles:
COc1ccc(C(=O)c2c(O)cc(O)cc2O)cc1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
