Glycoside
GD102552
Name:
NoneFormula:
C22H25O6N5Smiles:
O=C(Cc1ccc2c(c1)CCCC2)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(Cc1ccc2c(c1)CCCC2)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.47 | Num_heavy_atoms: | 33 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43410
Formula: C17H17O2N5
Smiles:
O=C(Cc1ccc2c(c1)CCCC2)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.36 | Num_heavy_atoms: | 24 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
