Glycoside
GD120528
Name:
A-500359 CFormula:
C24H33O11N5Smiles:
C=C1NC(C)CCCC1N=C(O)C1=CC(O)C(O)C(OC(C(=N)O)C2OC(n3ccc(O)nc3=O)C(O)C2O)O1Aglycone:
C=C1NC(C)CCCC1N=C(O)C1=CC(O)C(O)C(OCC(=N)O)O1.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 567.55 | Num_heavy_atoms: | 40 |
| TPSA: | 252.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD48435
Formula: C16H25O6N3
Smiles:
C=C1NC(C)CCCC1N=C(O)C1=CC(O)C(O)C(OCC(=N)O)O1| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.39 | Num_heavy_atoms: | 25 |
| TPSA: | 147.62 | NumAromaticRings: | 0 |
