Glycoside
GD133695
Name:
1-{1,3a,11-trihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-oneFormula:
C28H44O8Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(O)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OAglycone:
CC(=O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54096
Formula: C21H32O5
Smiles:
CC(=O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
