Glycoside
GD151850
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl 14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C31H50O13Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)COAglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.73 | Num_heavy_atoms: | 44 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD04617
Formula: C20H32O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
