Glycoside
GD028287
Name:
NoneFormula:
C29H28O7N4Smiles:
COC1C(=[N+]=[N-])C(=O)NC(=O)N1C1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.COC1NC(=O)NC(=O)C1=[N+]=[N-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.56 | Num_heavy_atoms: | 40 |
| TPSA: | 153.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD18503
Formula: C5H6O3N4
Smiles:
COC1NC(=O)NC(=O)C1=[N+]=[N-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.13 | Num_heavy_atoms: | 12 |
| TPSA: | 103.83 | NumAromaticRings: | 0 |
