Glycoside
GD005723
Name:
NoneFormula:
C24H41O10N5Smiles:
NCC1OC(OC2C(N)CC(N)C(OC3OC(COc4ccccc4)C(O)C(N)C3O)C2O)C(N)C(O)C1OAglycone:
COc1ccccc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.75 |
| AlogP: | -5.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 559.62 | Num_heavy_atoms: | 39 |
| TPSA: | 277.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD00247
Formula: C7H8O
Smiles:
COc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
