Glycoside
GD142644
Name:
4-hydroxy-3,6,9-trimethylidene-8-[(3,4,5-trihydroxy-6-{[2-(4-hydroxyphenyl)-2-oxoethoxy]methyl}oxan-2-yl)oxy]-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C29H34O11Smiles:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(COCC(=O)c4ccc(O)cc4)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12.COCC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD19393
Formula: C15H18O4
Smiles:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD57402
Formula: C9H10O3
Smiles:
COCC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
