Glycoside
GD131996
Name:
7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C34H42O21Smiles:
COc1cc(-c2oc3cc(OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)cc(O)c3c(=O)c2OC2OCC(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 786.69 | Num_heavy_atoms: | 55 |
| TPSA: | 326.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD09324
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
