Glycoside
GD001629
Name:
NoneFormula:
C44H76O12N2Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)[C@H](COCc2ccccc2)COC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1OAglycone:
COC1(C)CC(C)C(O)C(C)CN(C)C(COCc2ccccc2)COC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 825.09 | Num_heavy_atoms: | 58 |
| TPSA: | 158.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD01615
Formula: C36H62O9N2
Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)C(COCc2ccccc2)COC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.9 | Num_heavy_atoms: | 47 |
| TPSA: | 130.39 | NumAromaticRings: | 1 |
