Glycoside
GD017948
Name:
NoneFormula:
C29H29O4N7Smiles:
O=C(NC1CC1)[C@@H]1OC(n2cnc3c(NCCc4c(-c5ccccc5)[nH]c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2c(-c3ccccc3)[nH]c3ccccc23)[N]1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 539.6 | Num_heavy_atoms: | 40 |
| TPSA: | 150.21 | NumAromaticRings: | 5 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12746
Formula: C21H17N6
Smiles:
C1=Nc2c(ncnc2NCCc2c(-c3ccccc3)[nH]c3ccccc23)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.41 | Num_heavy_atoms: | 27 |
| TPSA: | 80.06 | NumAromaticRings: | 4 |
