Glycoside
GD157964
Name:
9a,11a-dimethyl-1-{6-methyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexolFormula:
C32H56O11Smiles:
CC(CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)COC1OCC(O)C(O)C1OAglycone:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 616.79 | Num_heavy_atoms: | 43 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD62389
Formula: C27H48O7
Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.67 | Num_heavy_atoms: | 34 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
