Glycoside
GD007717
Name:
NoneFormula:
C34H69O10N5Smiles:
CCCCCCCCCCCCCCCCNC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](O)[C@H](N)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCNC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 22 |
| MolWt: | 707.95 | Num_heavy_atoms: | 49 |
| TPSA: | 274.41 | 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 |
AD06255
Formula: C17H37N
Smiles:
CCCCCCCCCCCCCCCCNC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 15 |
| MolWt: | 255.49 | Num_heavy_atoms: | 18 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
