Glycoside
GD144254
Name:
2-acetyl-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-{[2-(4-hydroxyphenyl)acetyl]oxy}phenyl 4-hydroxy-3-methylbutanoateFormula:
C33H42O17Smiles:
CC(=O)c1c(OC(=O)Cc2ccc(O)cc2)cc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1OC(=O)CC(C)COAglycone:
CC(=O)c1c(OC(=O)Cc2ccc(O)cc2)cc(O)cc1OC(=O)CC(C)COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 710.68 | Num_heavy_atoms: | 50 |
| TPSA: | 268.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD57989
Formula: C21H22O8
Smiles:
CC(=O)c1c(OC(=O)Cc2ccc(O)cc2)cc(O)cc1OC(=O)CC(C)CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 130.36 | NumAromaticRings: | 2 |
