Glycoside
GD125960
Name:
3a,3b-dihydroxy-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:
C39H58O16Smiles:
COC1C(O)C(OC2CCC3(C)C(C2)C(OC(C)=O)CC2(O)C3CCC3(C)C(c4ccc(=O)oc4)CCC32O)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 782.88 | Num_heavy_atoms: | 55 |
| TPSA: | 244.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD45296
Formula: C26H36O7
Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 460.57 | Num_heavy_atoms: | 33 |
| TPSA: | 117.2 | NumAromaticRings: | 1 |
