Glycoside
GD117792
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,5,7-pentolFormula:
C32H56O10Smiles:
CC(CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COC1OCC(O)C(O)C1OAglycone:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.79 | Num_heavy_atoms: | 42 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD47014
Formula: C27H48O6
Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
