Glycoside
GD016064
Name:
NoneFormula:
C23H21O4N4BrSmiles:
Cc1ccc(OC2CC(n3cnc4c(=O)[nH]c(Br)nc43)OC2Oc2ccc(C)cc2)cc1Aglycone:
Cc1ccc(O)cc1.Cc1ccc(O)cc1.O=c1[nH]c(Br)nc2c1N=C[N]2Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 497.35 | Num_heavy_atoms: | 32 |
| TPSA: | 91.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD11609
Formula: C5H2ON4Br
Smiles:
O=c1[nH]c(Br)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.0 | Num_heavy_atoms: | 11 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
