Glycoside
GD137410
Name:
9-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.0â´,¹²]dodecan-3-oneFormula:
C22H36O8Smiles:
COC1OC(OC)C(O)(CCC2(O)C(C)CC3OC(=O)C4(C)CCCC2(C)C34)C1OAglycone:
CCC1(O)C(C)CC2OC(=O)C3(C)CCCC1(C)C23Sugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.52 | Num_heavy_atoms: | 30 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55516
Formula: C16H26O3
Smiles:
CCC1(O)C(C)CC2OC(=O)C3(C)CCCC1(C)C23| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.38 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
