Glycoside
GD000019
Name:
NoneFormula:
C18H36O9N4Smiles:
CC1CC(O)C(O)C(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1Aglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC1CC(O)C(O)C(O)O1.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.51 | Num_heavy_atoms: | 31 |
| TPSA: | 242.15 | NumAromaticRings: | 0 |
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 |
