Glycoside
GD126296
Name:
A-500359 FFormula:
C17H21O12N3Smiles:
COC1C(O)C(n2ccc(O)nc2=O)OC1C(OC1OC(C(=O)O)=CC(O)C1O)C(=N)OAglycone:
N=C(O)COC1OC(C(=O)O)=CC(O)C1O.O=c1nc(O)cc[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.36 | Num_heavy_atoms: | 32 |
| TPSA: | 234.11 | 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 |
AD51094
Formula: C8H11O7N
Smiles:
N=C(O)COC1OC(C(=O)O)=CC(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.18 | Num_heavy_atoms: | 16 |
| TPSA: | 140.3 | NumAromaticRings: | 0 |
