Glycoside
GD127031
Name:
8-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,6,9-trimethylidene-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C33H48O18Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(OC3OC(CO)C(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C3O)C(=C)C12Aglycone:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | -4.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 732.73 | Num_heavy_atoms: | 51 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
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 |
