Glycoside
GD143071
Name:
1-[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}-1,3a,3b-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl acetateFormula:
C46H76O18Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(C)=O)C3(C)C(O)(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)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 917.1 | Num_heavy_atoms: | 64 |
| TPSA: | 236.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD57558
Formula: C25H40O8
Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.59 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
