Glycoside
GD059633
Name:
NoneFormula:
C16H22O6N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)/C=C/c2ccccn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(C=Cc1ccccn1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.36 | Num_heavy_atoms: | 24 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD29520
Formula: C10H12O2N2
Smiles:
O=C(C=Cc1ccccn1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
