Glycoside
GD155488
Name:
9-hydroxy-2,6,12-trimethyl-12-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-15-oxatetracyclo[8.4.1.0¹,¹â°.0²,â·]pentadecane-6-carboxylic acidFormula:
C26H42O10Smiles:
CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC23OC2(C1)C(O)CC1C(C)(C(=O)O)CCCC13CAglycone:
CC1(CCO)CCC23OC2(C1)C(O)CC1C(C)(C(=O)O)CCCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 169.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61681
Formula: C20H32O5
Smiles:
CC1(CCO)CCC23OC2(C1)C(O)CC1C(C)(C(=O)O)CCCC13C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 90.29 | NumAromaticRings: | 0 |
