Glycoside
GD140613
Name:
2,4,5-trihydroxy-6-({[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy}methyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C23H24O11Smiles:
O=C1C=CC(O)(CC(=O)OCC2OC(O)C(OC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C=C1Aglycone:
COC(=O)CC1(O)C=CC(=O)C=C1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD08699
Formula: C9H10O4
Smiles:
COC(=O)CC1(O)C=CC(=O)C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
