Glycoside
GD125078
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-8-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-oneFormula:
C30H36O17Smiles:
COc1ccc(-c2oc3c(O)c(OC)c(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3c(=O)c2OC)cc1OAglycone:
COc1ccc(-c2oc3c(O)c(OC)c(O)cc3c(=O)c2OC)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.6 | Num_heavy_atoms: | 47 |
| TPSA: | 256.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD50577
Formula: C18H16O8
Smiles:
COc1ccc(-c2oc3c(O)c(OC)c(O)cc3c(=O)c2OC)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
