Glycoside
GD007007
Name:
NoneFormula:
C30H29O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCC(c4ccccc4)(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC(c2ccccc2)(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.59 | Num_heavy_atoms: | 39 |
| TPSA: | 125.55 | NumAromaticRings: | 5 |
Unique Aglycone
AD05734
Formula: C25H20N5
Smiles:
C1=Nc2c(ncnc2NCC(c2ccccc2)(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.47 | Num_heavy_atoms: | 30 |
| TPSA: | 64.27 | NumAromaticRings: | 4 |
