Glycoside
GD012439
Name:
NoneFormula:
C32H29O5N6ClSmiles:
O=C(Cc1cccc(Cl)c1)NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)Cc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 601.06 | Num_heavy_atoms: | 43 |
| TPSA: | 143.65 | NumAromaticRings: | 5 |
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 |
AD09379
Formula: C10H10ONCl
Smiles:
CNC(=O)Cc1cccc(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.64 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
