Glycoside
GD127483
Name:
7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-7-en-1-yl 16-hydroxy-7,11-dimethyl-6-(2-oxo-2H-pyran-5-yl)-3-oxapentacyclo[8.8.0.0²,â´.0²,â·.0¹¹,¹â¶]octadecane-14-carboxylateFormula:
C39H56O12Smiles:
C=C(CCCCCCOC(=O)C1CCC2(C)C3CCC4(C)C(c5ccc(=O)oc5)CC5OC54C3CCC2(O)C1)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C(O)CCCCCCOC(=O)C1CCC2(C)C3CCC4(C)C(c5ccc(=O)oc5)CC5OC54C3CCC2(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 716.87 | Num_heavy_atoms: | 51 |
| TPSA: | 188.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD51628
Formula: C33H46O7
Smiles:
C=C(O)CCCCCCOC(=O)C1CCC2(C)C3CCC4(C)C(c5ccc(=O)oc5)CC5OC54C3CCC2(O)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.72 | Num_heavy_atoms: | 40 |
| TPSA: | 109.5 | NumAromaticRings: | 1 |
