Glycoside
GD117437
Name:
2-(hydroxymethyl)-6-{[3,4,7-trihydroxy-14-(hydroxymethyl)-5,5-dimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadecan-6-yl]oxy}oxane-3,4,5-triolFormula:
C26H42O10Smiles:
C=C1C2CCC3CC2(CC3CO)CC(O)C2(O)C1C(O)C(OC1OC(CO)C(O)C(O)C1O)C2(C)CAglycone:
C=C1C2CCC3CC2(CC3CO)CC(O)C2(O)C1C(O)C(O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD46821
Formula: C20H32O5
Smiles:
C=C1C2CCC3CC2(CC3CO)CC(O)C2(O)C1C(O)C(O)C2(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
