Glycoside
GD148535
Name:
1-(3a,10,11-trihydroxy-7-{[4-methoxy-5-({4-methoxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-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:
C41H66O15Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(O)C(O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(O)C2O)C(C)O1Aglycone:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(O)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 798.96 | Num_heavy_atoms: | 56 |
| TPSA: | 212.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD46982
Formula: C21H32O5
Smiles:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
