Glycoside
GD154137
Name:
2-(hydroxymethyl)-6-{[1,4,13-trihydroxy-12,12-dimethyl-6-(propan-2-yl)tricyclo[9.4.0.0³,â¸]pentadeca-3,5,7-trien-5-yl]oxy}oxane-3,4,5-triolFormula:
C26H40O9Smiles:
CC(C)c1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)CC1(O)CCC(O)C(C)(C)C1CC2Aglycone:
CC(C)c1cc2c(c(O)c1O)CC1(O)CCC(O)C(C)(C)C1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD61259
Formula: C20H30O4
Smiles:
CC(C)c1cc2c(c(O)c1O)CC1(O)CCC(O)C(C)(C)C1CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
