Glycoside
GD125740
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[4.4]nonan-1-oneFormula:
C30H41O11NSmiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 591.65 | Num_heavy_atoms: | 42 |
| TPSA: | 191.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD50863
Formula: C24H29O5N
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.5 | Num_heavy_atoms: | 30 |
| TPSA: | 92.26 | NumAromaticRings: | 2 |
