Glycoside
GD117491
Name:
9a,11a-dimethyl-1-[6-methyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)heptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,5a,7-pentolFormula:
C35H62O11Smiles:
CC(C)C(CCOC1OC(CO)C(O)C(O)C1O)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12CAglycone:
CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 658.87 | Num_heavy_atoms: | 46 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD46849
Formula: C29H52O6
Smiles:
CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.73 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
