Glycoside
GD135444
Name:
4-hydroxy-2-methyl-5-(2-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}ethylidene)cyclopent-1-ene-1-carboxylic acidFormula:
C24H28O11Smiles:
CC1=C(C(=O)O)C(=CCOC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)C(O)C1Aglycone:
CC1=C(C(=O)O)C(=CCO)C(O)C1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD54766
Formula: C9H12O4
Smiles:
CC1=C(C(=O)O)C(=CCO)C(O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
