Glycoside
GD157662
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-[7-hydroxy-5-(propan-2-yl)octan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,3,3b,5-tetrolFormula:
C36H62O10Smiles:
COC1C(OC2C=C3C(O)CC4(O)C(CCC5(C)C(C(C)CCC(CC(C)O)C(C)C)C(O)C(O)C54)C3(C)CC2)OCC(O)C1OAglycone:
CC(O)CC(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)CSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD62316
Formula: C30H52O6
Smiles:
CC(O)CC(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
