Glycoside
GD124784
Name:
1-[1-(acetyloxy)ethyl]-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-11-yl benzoateFormula:
C51H78O16Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)OC(C)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 947.17 | Num_heavy_atoms: | 67 |
| TPSA: | 196.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD45469
Formula: C30H42O6
Smiles:
CC(=O)OC(C)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
