Glycoside
GD016031
Name:
NoneFormula:
C21H41O12N5Smiles:
CC(N)C(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1OAglycone:
CNC(=O)C(C)N.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -7.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 555.58 | Num_heavy_atoms: | 38 |
| TPSA: | 311.71 | 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 |
AD10164
Formula: C4H10ON2
Smiles:
CNC(=O)C(C)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
