Glycoside
GD114983
Name:
2-[(6-{[3a-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H58O12Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.83 | Num_heavy_atoms: | 46 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD10161
Formula: C21H36O3
Smiles:
CC(O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.52 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
