Glycoside
GD126313
Name:
2-{[4-hydroxy-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl]oxy}oxane-3,4,5-triolFormula:
C25H38O6Smiles:
CC(C)c1cc2c(c(O)c1OC1OCC(O)C(O)C1O)C1(C)CCCC(C)(C)C1CC2Aglycone:
CC(C)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C)C1CC2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.57 | Num_heavy_atoms: | 31 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD51099
Formula: C20H30O2
Smiles:
CC(C)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C)C1CC2| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
