Glycoside
GD012224
Name:
NoneFormula:
C34H60O15N6Smiles:
COc1ccc(CCNCCO[C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)cc1Aglycone:
COc1ccc(CCNCCO)cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.82 |
| AlogP: | -7.0 | Num_rotatable_bonds: | 17 |
| MolWt: | 792.88 | Num_heavy_atoms: | 55 |
| TPSA: | 357.58 | 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 |
AD09230
Formula: C11H17O2N
Smiles:
COc1ccc(CCNCCO)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 195.26 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
