Glycoside
GD018979
Name:
NoneFormula:
C33H61O21N3Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](N)[C@@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](N)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.NCCCCCCOSugarmoiety:
CC1OC(OC2C(N)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.97 |
| AlogP: | -8.04 | Num_rotatable_bonds: | 19 |
| MolWt: | 835.85 | Num_heavy_atoms: | 57 |
| TPSA: | 411.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD04152
Formula: C6H15ON
Smiles:
NCCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 117.19 | Num_heavy_atoms: | 8 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
AD05355
Formula: C9H17O8N
Smiles:
NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 9 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.23 | Num_heavy_atoms: | 18 |
| TPSA: | 173.7 | NumAromaticRings: | 0 |
