Glycoside
GD116751
Name:
1-acetyl-11-(acetyloxy)-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl benzoateFormula:
C51H76O17Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(OC(=O)c3ccccc3)C(OC(C)=O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 961.15 | Num_heavy_atoms: | 68 |
| TPSA: | 213.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD45180
Formula: C30H40O7
Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.64 | Num_heavy_atoms: | 37 |
| TPSA: | 110.13 | NumAromaticRings: | 1 |
