Glycoside
GD017665
Name:
NoneFormula:
C43H74O12N2Smiles:
CO[C@@]1(C)C[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](COCc3ccccc3)CN(C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)O[C@H](C)[C@H]1OAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(COCc3ccccc3)CN(C)CC(C)C(O)C(C)CC2(C)O)O1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 811.07 | Num_heavy_atoms: | 57 |
| TPSA: | 169.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD12587
Formula: C35H60O9N2
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(COCc3ccccc3)CN(C)CC(C)C(O)C(C)CC2(C)O)O1| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 141.39 | NumAromaticRings: | 1 |
