Glycoside
GD151120
Name:
[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-14-yl]methyl acetateFormula:
C29H48O9Smiles:
COC1C(CO)OC(OCC2(C)CCCC3(C)C2CCC24CC(CCC23)C(O)(COC(C)=O)C4)C(O)C1OAglycone:
CC(=O)OCC1(O)CC23CCC4C(C)(CO)CCCC4(C)C2CCC1C3Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.69 | Num_heavy_atoms: | 38 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60301
Formula: C22H36O4
Smiles:
CC(=O)OCC1(O)CC23CCC4C(C)(CO)CCCC4(C)C2CCC1C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.53 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
