Glycoside
GD014859
Name:
NoneFormula:
C22H37O9N5Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCCCN2CCOCC2)[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)CNCCCN3CCOCC3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 515.56 | Num_heavy_atoms: | 36 |
| TPSA: | 193.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD10888
Formula: C17H28O6N4
Smiles:
O=c1ccn(C2OC(C(O)CNCCCN3CCOCC3)CC2O)c(=O)[nH]1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 384.43 | Num_heavy_atoms: | 27 |
| TPSA: | 129.05 | NumAromaticRings: | 1 |
