Glycoside
GD145864
Name:
2-{[11-hydroxy-1-(2-hydroxy-7-methyloct-6-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H64O8Smiles:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.91 | Num_heavy_atoms: | 45 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45997
Formula: C31H54O3
Smiles:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.77 | Num_heavy_atoms: | 34 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
