Glycoside
GD000180
Name:
NoneFormula:
C18H23O6N5Smiles:
COc1cc(C=CCNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)ccc1OAglycone:
CNCC=Cc1ccc(O)c(OC)c1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 164.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00217
Formula: C11H15O2N
Smiles:
CNCC=Cc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
