Glycoside
GD138217
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H40O9Smiles:
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C4CCC3(C2)C1OAglycone:
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55811
Formula: C20H30O4
Smiles:
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
