Glycoside
GD001246
Name:
NoneFormula:
C27H29O5N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCCc5c(OCc6ccccc6)cccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCc3c(OCc4ccccc4)cccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 503.56 | Num_heavy_atoms: | 37 |
| TPSA: | 134.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD01286
Formula: C22H20ON5
Smiles:
C1=Nc2c(ncnc2NC2CCCc3c(OCc4ccccc4)cccc32)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.44 | Num_heavy_atoms: | 28 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
