Glycoside
GD150762
Name:
2-{[8a,11-bis(hydroxymethyl)-4,4,6a,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O8Smiles:
CC1(CO)CCC2(CO)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC34C)C2C1Aglycone:
CC1(CO)CCC2(CO)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD60182
Formula: C29H48O3
Smiles:
CC1(CO)CCC2(CO)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 444.7 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
