Glycoside
GD116513
Name:
2-(hydroxymethyl)-6-{[1-(hydroxymethyl)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-2-yl]oxy}oxane-3,4,5-triolFormula:
C26H44O10Smiles:
CC1(CO)C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C3CCC(C(O)(CO)CO)CC3=CCC12Aglycone:
CC1(CO)C(O)CCC2(C)C3CCC(C(O)(CO)CO)CC3=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.63 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD46282
Formula: C20H34O5
Smiles:
CC1(CO)C(O)CCC2(C)C3CCC(C(O)(CO)CO)CC3=CCC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.49 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
