Glycoside
GD150328
Name:
NoneFormula:
C21H40O16N2Smiles:
CN(O)NCOC1OC(COC2CC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CN(O)NCO.COC1CC(CO)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -7.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 576.55 | Num_heavy_atoms: | 39 |
| TPSA: | 283.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD47031
Formula: C2H8O2N2
Smiles:
CN(O)NCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.1 | Num_heavy_atoms: | 6 |
| TPSA: | 55.73 | NumAromaticRings: | 0 |
AD47730
Formula: C8H16O5
Smiles:
COC1CC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.21 | Num_heavy_atoms: | 13 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
