Glycoside
GD131254
Name:
4'-(6-O-Caffeoyl-Beta-D-Glucopyranosyl)-2'-Methyl Butyric AcidFormula:
C20H26O11Smiles:
CC(CCOC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O)C(=O)OAglycone:
CC(CCO)C(=O)O.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD53180
Formula: C5H10O3
Smiles:
CC(CCO)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
