Glycoside
GD090514
Name:
NoneFormula:
C21H26O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cn(-c3cnn(C)c3)c3ccccc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1cc(-n2cc(C(=O)NCCO)c3ccccc32)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 131.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD39380
Formula: C15H16O2N4
Smiles:
Cn1cc(-n2cc(C(=O)NCCO)c3ccccc32)cn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.32 | Num_heavy_atoms: | 21 |
| TPSA: | 72.08 | NumAromaticRings: | 3 |
