Glycoside
GD125525
Name:
1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,7-triolFormula:
C32H56O8Smiles:
CC(C)C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)OC1OC(CO)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.79 | Num_heavy_atoms: | 40 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD13821
Formula: C27H48O4
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.68 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
