Glycoside
GD116321
Name:
A-500359 CFormula:
C23H31O12N5Smiles:
CC1CCCC(N=C(O)C2=CC(O)C(O)C(OC(C(=N)O)C3OC(n4ccc(O)nc4=O)C(O)C3O)O2)C(O)=N1Aglycone:
CC1CCCC(N=C(O)C2=CC(O)C(O)C(OCC(=N)O)O2)C(O)=N1.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 569.52 | Num_heavy_atoms: | 40 |
| TPSA: | 272.99 | 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 |
AD46167
Formula: C15H23O7N3
Smiles:
CC1CCCC(N=C(O)C2=CC(O)C(O)C(OCC(=N)O)O2)C(O)=N1| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.36 | Num_heavy_atoms: | 25 |
| TPSA: | 168.18 | NumAromaticRings: | 0 |
