Glycoside
GD015065
Name:
NoneFormula:
C21H32O8N6Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCCCn2ccnc2)[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)CNCCCn3ccnc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 496.52 | Num_heavy_atoms: | 35 |
| TPSA: | 199.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD11002
Formula: C16H23O5N5
Smiles:
O=c1ccn(C2OC(C(O)CNCCCn3ccnc3)CC2O)c(=O)[nH]1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.39 | Num_heavy_atoms: | 26 |
| TPSA: | 134.4 | NumAromaticRings: | 2 |
