Glycoside
GD128002
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 14-hydroxy-14-(hydroxymethyl)-4,5,9,10-tetramethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C28H46O9Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3(C)CCC4CC3(CCC12C)CC4(O)COAglycone:
CC1(C(=O)O)CCCC2(C)C3(C)CCC4CC3(CCC12C)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.67 | Num_heavy_atoms: | 37 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51852
Formula: C22H36O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3(C)CCC4CC3(CCC12C)CC4(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.53 | Num_heavy_atoms: | 26 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
