Glycoside
GD151320
Name:
2-hydroxy-5-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}hexanoic acidFormula:
C27H40O17Smiles:
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(O)C(=O)OAglycone:
Cc1ccc(O)cc1Sugarmoiety:
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OO)C(O)C(=O)O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -4.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 636.6 | Num_heavy_atoms: | 44 |
| TPSA: | 282.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
