Glycoside
GD148575
Name:
4-methyl-2-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}hexanoic acidFormula:
C22H30O10Smiles:
CCC(C)CC(OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O)C(=O)OAglycone:
CCC(C)CC(O)C(=O)O.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 454.47 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | 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 |
AD59448
Formula: C7H14O3
Smiles:
CCC(C)CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
