Glycoside
GD022245
Name:
NoneFormula:
C29H30O11N2Smiles:
CCc1c2c(nc3ccc(OC[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CCAglycone:
CCc1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 582.56 | Num_heavy_atoms: | 42 |
| TPSA: | 197.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD15102
Formula: C23H22O5N2
Smiles:
CCc1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.44 | Num_heavy_atoms: | 30 |
| TPSA: | 90.65 | NumAromaticRings: | 3 |
