Glycoside
GD145774
Name:
9a,11a-dimethyl-1-{6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,4,5,7-tetrolFormula:
C32H56O9Smiles:
CC(C)C(CCC(C)C1CC(O)C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.79 | Num_heavy_atoms: | 41 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58493
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
