Glycoside
GD119236
Name:
[3,4,5-trihydroxy-6-({3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetateFormula:
C29H34O10Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(OC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)C(=C)C12Aglycone:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.58 | Num_heavy_atoms: | 39 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD04351
Formula: C15H18O3
Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
