Glycoside
GD007019
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹â´.0¹,¹â°.0â´,â¹]heptadecane-5-carboxylateFormula:
C26H40O10Smiles:
C[C@]1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC[C@]2(C)[C@@H]3C4CC5CC3(CC[C@H]12)[C@H](O)[C@@]5(CO)O4Aglycone:
CC1(C(=O)O)CCCC2(C)C1CCC13CC4CC(OC4(CO)C1O)C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD05745
Formula: C20H30O5
Smiles:
CC1(C(=O)O)CCCC2(C)C1CCC13CC4CC(OC4(CO)C1O)C23| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
