Glycoside

GD106608
Name:
NoneFormula:
C27H24O8N6Smiles:
O=C(Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=OAglycone:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.26 |
AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
MolWt: | 560.52 | Num_heavy_atoms: | 41 |
TPSA: | 199.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD40820
Formula: C22H15O4N6
Smiles:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=OHBA: | 10 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.09 |
AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
MolWt: | 427.4 | Num_heavy_atoms: | 32 |
TPSA: | 138.69 | NumAromaticRings: | 3 |