Glycoside
GD131678
Name:
2-{[2,4-dihydroxy-9a-(hydroxymethyl)-3a,6,6,11a-tetramethyl-1-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C35H60O11Smiles:
CC(CC(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3C(=CCC12C)C1(CO)CCC(OC2OCC(O)C(O)C2O)C(C)(C)C1CC3OAglycone:
CC(CC(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3C(=CCC12C)C1(CO)CCC(O)C(C)(C)C1CC3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.85 | Num_heavy_atoms: | 46 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD53331
Formula: C30H52O7
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3C(=CCC12C)C1(CO)CCC(O)C(C)(C)C1CC3O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.74 | Num_heavy_atoms: | 37 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
