Glycoside
GD018096
Name:
NoneFormula:
C37H61O12NSmiles:
C=CC1O[C@H](O[C@@H]2C(C)C(=O)O[C@H](C)[C@H](C)C(OC(C)=O)C(C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](OC3OC(C)CC(N(C)C)[C@H]3O)[C@H]2C)C[C@H]1OCAglycone:
CC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(C)C1CSugarmoiety:
C=CC1OC(O)CC1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 711.89 | Num_heavy_atoms: | 50 |
| TPSA: | 151.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD03398
Formula: C30H51O10N
Smiles:
CC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(C)C1C| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 585.74 | Num_heavy_atoms: | 41 |
| TPSA: | 144.36 | NumAromaticRings: | 0 |
