Glycoside
GD016710
Name:
2-{[7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O8Smiles:
C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@]12CAglycone:
C=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD11993
Formula: C30H50O3
Smiles:
C=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
