Glycoside
GD008867
Name:
NoneFormula:
C27H29O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(-c6ccccc6)cc5)CC4)ccnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(N3CCN(c4ccc(-c5ccccc5)cc4)CC3)ccnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 487.56 | Num_heavy_atoms: | 36 |
| TPSA: | 107.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD07025
Formula: C22H20N5
Smiles:
C1=Nc2c(N3CCN(c4ccc(-c5ccccc5)cc4)CC3)ccnc2[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.44 | Num_heavy_atoms: | 27 |
| TPSA: | 45.83 | NumAromaticRings: | 3 |
