Glycoside
GD007695
Name:
NoneFormula:
C25H33O8N5Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCCc2c[nH]c3ccccc23)[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)CNCCc3c[nH]c4ccccc34)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 531.57 | Num_heavy_atoms: | 38 |
| TPSA: | 197.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD06237
Formula: C20H24O5N4
Smiles:
O=c1ccn(C2OC(C(O)CNCCc3c[nH]c4ccccc34)CC2O)c(=O)[nH]1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.44 | Num_heavy_atoms: | 29 |
| TPSA: | 132.37 | NumAromaticRings: | 3 |
