Glycoside
GD138818
Name:
2-{[1-hydroxy-1-(1-{[5-hydroxy-4-(methoxymethoxy)-6-methyloxan-2-yl]oxy}ethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-oneFormula:
C36H56O10Smiles:
COCOC1CC(OC(C)C2(O)CCC3C4CC=C5CC(OC6OC(C)C=C(OC)C6=O)CCC5(C)C4CCC32C)OC(C)C1OAglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=OSugarmoiety:
COCOC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD19054
Formula: C28H42O6
Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
