Glycoside
GD029515
Name:
NoneFormula:
C27H33O9N3Smiles:
Cc1nc(C)c(-c2ccc([C@H]3CC[C@@H](CC(=O)O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)CC3)cc2)nc1C(N)=OAglycone:
Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 543.57 | Num_heavy_atoms: | 39 |
| TPSA: | 202.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD19195
Formula: C21H25O3N3
Smiles:
Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.45 | Num_heavy_atoms: | 27 |
| TPSA: | 106.17 | NumAromaticRings: | 2 |
