Glycoside
GD111082
Name:
NoneFormula:
C33H49O10NSmiles:
CC(C)=CCC[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]21Aglycone:
CC(C)=CCCC1(C)Oc2cc(O)ccc2C2OC3CCN(C(=O)OC(C)(C)C)CC3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 619.75 | Num_heavy_atoms: | 44 |
| TPSA: | 147.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD44691
Formula: C27H39O5N
Smiles:
CC(C)=CCCC1(C)Oc2cc(O)ccc2C2OC3CCN(C(=O)OC(C)(C)C)CC3CC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 457.61 | Num_heavy_atoms: | 33 |
| TPSA: | 68.23 | NumAromaticRings: | 1 |
