Glycoside
GD131929
Name:
4a-{[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-1,10,11-triolFormula:
C36H60O9Smiles:
CC1C(OC23CCC(C)(C)C(O)C2C2=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C2(C)CC3)OC(CO)C(O)C1OAglycone:
CC1(C)CCC2(O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1OSugarmoiety:
CC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD53422
Formula: C29H48O5
Smiles:
CC1(C)CCC2(O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
