Glycoside
GD116458
Name:
2-(hydroxymethyl)-6-{[1,2,4-trihydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-decahydroazulen-4-yl]methoxy}oxane-3,4,5-triolFormula:
C21H38O10Smiles:
CC(C)(O)C1CCC(O)(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(C)(O)C2C1Aglycone:
CC(C)(O)C1CCC(O)(CO)C2CC(O)C(C)(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.53 | Num_heavy_atoms: | 31 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD46248
Formula: C15H28O5
Smiles:
CC(C)(O)C1CCC(O)(CO)C2CC(O)C(C)(O)C2C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.38 | Num_heavy_atoms: | 20 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
