Glycoside
GD147303
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H42O10Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4(O)COAglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58997
Formula: C20H32O5
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4(O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
