Glycoside
GD134488
Name:
6-[(6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]cyclohexane-1,2,3,4,5-pentolFormula:
C41H70O11Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC6C(O)C(O)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.COC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 739.0 | Num_heavy_atoms: | 52 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD01460
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD03454
Formula: C7H14O6
Smiles:
COC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.18 | Num_heavy_atoms: | 13 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
