Glycoside
GD007314
Name:
NoneFormula:
C21H42O11N6Smiles:
CC(=O)NCC1OC(OC2C(O)C(OC3OC(CN)C(O)C(O)C3N)C(N)CC2(N)CO)C(O)C(N)C1OAglycone:
CNC(C)=O.NC1CC(N)(CO)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -7.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.6 | Num_heavy_atoms: | 38 |
| TPSA: | 317.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD04145
Formula: C7H16O4N2
Smiles:
NC1CC(N)(CO)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.22 | Num_heavy_atoms: | 13 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
