Glycoside
GD004627
Name:
NoneFormula:
C30H36O9N2Smiles:
CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3[nH]c(=O)ccc13)C2Aglycone:
CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)ccc13)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.62 | Num_heavy_atoms: | 41 |
| TPSA: | 181.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD04015
Formula: C24H28O3N2
Smiles:
CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)ccc13)C2| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.5 | Num_heavy_atoms: | 29 |
| TPSA: | 85.35 | NumAromaticRings: | 3 |
