Glycoside
GD035922
Name:
NoneFormula:
C38H40O11N6Smiles:
NC[C@@H]1O[C@H](O[C@H](Cc2cn(Cc3ccc(COc4ccc(C(=O)c5ccccc5)cc4)cc3)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(c1ccccc1)c1ccc(OCc2ccc(Cn3cc(CCO)nn3)cc2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.34 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 14 |
| MolWt: | 756.77 | Num_heavy_atoms: | 55 |
| TPSA: | 246.5 | NumAromaticRings: | 5 |
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 |
AD22699
Formula: C25H23O3N3
Smiles:
O=C(c1ccccc1)c1ccc(OCc2ccc(Cn3cc(CCO)nn3)cc2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 413.48 | Num_heavy_atoms: | 31 |
| TPSA: | 77.24 | NumAromaticRings: | 4 |
