Glycoside
GD116845
Name:
DeoxypumilosideFormula:
C26H28O8N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3Cc4cc5ccccc5nc4C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3Cc4cc5ccccc5nc4C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.52 | Num_heavy_atoms: | 36 |
| TPSA: | 141.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD46484
Formula: C20H18O3N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3Cc4cc5ccccc5nc4C3CC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.38 | Num_heavy_atoms: | 25 |
| TPSA: | 62.66 | NumAromaticRings: | 2 |
