Glycoside
GD003549
Name:
NoneFormula:
C22H31O8N5Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCCc2ccncc2)[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)CNCCc3ccncc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 493.52 | Num_heavy_atoms: | 35 |
| TPSA: | 194.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD03214
Formula: C17H22O5N4
Smiles:
O=c1ccn(C2OC(C(O)CNCCc3ccncc3)CC2O)c(=O)[nH]1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.39 | Num_heavy_atoms: | 26 |
| TPSA: | 129.47 | NumAromaticRings: | 2 |
