Glycoside
GD125388
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-({3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-8-yl}oxy)oxan-3-yl 2-(4-hydroxyphenyl)acetateFormula:
C29H34O10Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(OC3OC(CO)C(OC(=O)Cc4ccc(O)cc4)C(O)C3O)C(=C)C12Aglycone:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(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
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 |
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
