Glycoside
GD006586
Name:
NoneFormula:
C24H29O11N7Smiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cccc(Cc2cn(C[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)nn2)n1Aglycone:
Cn1cc(Cc2cccc(C(N)=O)n2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -5.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 591.53 | Num_heavy_atoms: | 42 |
| TPSA: | 267.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05440
Formula: C10H11ON5
Smiles:
Cn1cc(Cc2cccc(C(N)=O)n2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 217.23 | Num_heavy_atoms: | 16 |
| TPSA: | 86.69 | NumAromaticRings: | 2 |
