Glycoside
GD012066
Name:
NoneFormula:
C36H32O6N6Smiles:
O=C(NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1O)c1ccc(Oc2ccccc2)cc1Aglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)c1ccc(Oc2ccccc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.69 | Num_heavy_atoms: | 48 |
| TPSA: | 152.88 | NumAromaticRings: | 6 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD09121
Formula: C14H13O2N
Smiles:
CNC(=O)c1ccc(Oc2ccccc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 227.26 | Num_heavy_atoms: | 17 |
| TPSA: | 38.33 | NumAromaticRings: | 2 |
