Glycoside
GD146181
Name:
2-[(2-{10-hydroxy-7-methyl-11-oxatricyclo[5.3.1.0¹,â¶]undec-5-en-4-yl}propan-2-yl)peroxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H32O9Smiles:
CC12CCC(O)C3(CCC(C(C)(C)OOC4OC(CO)C(O)C(O)C4O)C=C13)O2Aglycone:
CC12CCC(O)C3(CCC(C(C)(C)OO)C=C13)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.47 | Num_heavy_atoms: | 29 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58629
Formula: C14H22O4
Smiles:
CC12CCC(O)C3(CCC(C(C)(C)OO)C=C13)O2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.33 | Num_heavy_atoms: | 18 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
