Glycoside
GD001575
Name:
NoneFormula:
C37H33O5N9Smiles:
O=C(NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1O)c1ccc2c(c1)ncn2Cc1ccccn1Aglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)c1ccc2c(c1)ncn2Cc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 683.73 | Num_heavy_atoms: | 51 |
| TPSA: | 174.36 | NumAromaticRings: | 7 |
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 |
AD01567
Formula: C15H14ON4
Smiles:
CNC(=O)c1ccc2c(c1)ncn2Cc1ccccn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.3 | Num_heavy_atoms: | 20 |
| TPSA: | 59.81 | NumAromaticRings: | 3 |
