Glycoside
GD120033
Name:
4-(hydroxymethyl)-1-methyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydroazulen-2-oneFormula:
C21H36O8Smiles:
CC1C(=O)CC2C(CO)CCC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
CC1C(=O)CC2C(CO)CCC(C(C)(C)O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48174
Formula: C15H26O3
Smiles:
CC1C(=O)CC2C(CO)CCC(C(C)(C)O)CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
