Glycoside
GD124794
Name:
2-(3,4-dihydroxy-2-methoxyphenyl)-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-oneFormula:
C30H36O19Smiles:
COc1c(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)ccc(O)c1OAglycone:
COc1c(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 700.6 | Num_heavy_atoms: | 49 |
| TPSA: | 297.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD50435
Formula: C18H16O10
Smiles:
COc1c(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc(O)c1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.32 | Num_heavy_atoms: | 28 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
