Glycoside
GD152490
Name:
1-acetyl-10-(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-11-yl acetateFormula:
C46H74O17Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(OC(C)=O)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)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(C)=OSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 899.08 | Num_heavy_atoms: | 63 |
| TPSA: | 213.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD60714
Formula: C25H38O7
Smiles:
CC(=O)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(C)=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.57 | Num_heavy_atoms: | 32 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
