Glycoside
GD117941
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 14-(hydroxymethyl)-5,9-dimethyl-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadec-14-ene-5-carboxylateFormula:
C32H50O14Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CCC4(OC5OC(CO)C(O)C(O)C5O)CC3(C=C4CO)CCC12Aglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(C=C4CO)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.74 | Num_heavy_atoms: | 46 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD47097
Formula: C20H30O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(C=C4CO)CCC12| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
