Glycoside
GD123176
Name:
4-(2-{2,8-dimethyl-6-oxo-3-[(2,3,4,5,6-pentahydroxyhexyl)peroxy]-2H,3H,4H,6H-pyrano[3,2-g]chromen-2-yl}ethyl)-2-azaspiro[4.5]decan-1-oneFormula:
C31H43O11NSmiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 605.68 | Num_heavy_atoms: | 43 |
| TPSA: | 191.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD49691
Formula: C25H31O5N
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(O)C3| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.53 | Num_heavy_atoms: | 31 |
| TPSA: | 92.26 | NumAromaticRings: | 2 |
