Glycoside
GD125964
Name:
7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3a,3b-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl acetateFormula:
C39H58O16Smiles:
COC1C(O)C(C)OC(OC2C(CO)OC(OC3CCC4(C)C(C3)C(OC(C)=O)CC3(O)C4CCC4(C)C(c5ccc(=O)oc5)CCC43O)C(O)C2O)C1OAglycone:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12Sugarmoiety:
COC1C(O)C(C)OC(OC2C(CO)OC(O)C(O)C2O)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 |
