Glycoside
GD014752
Name:
NoneFormula:
C26H30O10N10Smiles:
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1cc(-c2cccc(-c3cn(C[C@@H]4O[C@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@H]4O)nn3)n2)nn1Aglycone:
CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cccc(-c3cn(C)nn3)n2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -4.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.59 | Num_heavy_atoms: | 46 |
| TPSA: | 277.88 | NumAromaticRings: | 4 |
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 |
AD10808
Formula: C18H22O5N8
Smiles:
CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cccc(-c3cn(C)nn3)n2)nn1| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.43 | Num_heavy_atoms: | 31 |
| TPSA: | 173.33 | NumAromaticRings: | 3 |
