Glycoside
GD017048
Name:
NoneFormula:
C29H36O9N4Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCCc2ccc(Oc3ccccc3)cc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2OC(C(O)CNCCc3ccc(Oc4ccccc4)cc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 584.63 | Num_heavy_atoms: | 42 |
| TPSA: | 190.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD12214
Formula: C24H27O6N3
Smiles:
O=c1ccn(C2OC(C(O)CNCCc3ccc(Oc4ccccc4)cc3)CC2O)c(=O)[nH]1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 453.5 | Num_heavy_atoms: | 33 |
| TPSA: | 125.81 | NumAromaticRings: | 3 |
