Glycoside
GD080796
Name:
NoneFormula:
C18H21O7N5Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1nc2c(=O)[nH]c3ccccc3n2n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.39 | Num_heavy_atoms: | 30 |
| TPSA: | 171.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD36472
Formula: C12H11O3N5
Smiles:
O=C(NCCO)c1nc2c(=O)[nH]c3ccccc3n2n1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.25 | Num_heavy_atoms: | 20 |
| TPSA: | 112.38 | NumAromaticRings: | 3 |
