Glycoside
GD156504
Name:
3a,3b,11-trihydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl acetateFormula:
C39H58O17Smiles:
COC1C(O)C(OC2CCC3(C)C(C2)C(OC(C)=O)CC2(O)C3CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)CC12Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 798.88 | Num_heavy_atoms: | 56 |
| TPSA: | 264.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD60177
Formula: C26H36O8
Smiles:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)CC12| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.57 | Num_heavy_atoms: | 34 |
| TPSA: | 137.43 | NumAromaticRings: | 1 |
