Glycoside
GD028356
Name:
NoneFormula:
C29H34O4N6Smiles:
O=C(CC1CCCCC1)NC[C@@H]1OC(n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1.CNC(=O)CC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.63 | Num_heavy_atoms: | 39 |
| TPSA: | 134.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD05647
Formula: C9H17ON
Smiles:
CNC(=O)CC1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.24 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12945
Formula: C16H12N5
Smiles:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.31 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
