Glycoside
GD126871
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 14-formyl-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:
C32H48O14Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CCC4(OC5OC(CO)C(O)C(O)C5O)CC3(C=C4C=O)CCC12Aglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(C=C4C=O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.72 | Num_heavy_atoms: | 46 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD51355
Formula: C20H28O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(C=C4C=O)CCC12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
