Glycoside
GD006536
Name:
21-DESETHYL-21-CYCLOPROPYLSPINOSYNS AFormula:
C42H65O10NSmiles:
CO[C@H]1[C@H](OC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3C=C[C@@H]4[C@@H]5CC(=O)O[C@H](C6CC6)CCC[C@H](O[C@@H]6CC[C@H](N(C)C)[C@H](C)O6)[C@H](C)C(=O)C5=C[C@H]4[C@H]3C2)[C@@H]1OCAglycone:
CC1OC(OC2CCCC(C3CC3)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CCC1N(C)CSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 743.98 | Num_heavy_atoms: | 53 |
| TPSA: | 111.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD05398
Formula: C33H49O6N
Smiles:
CC1OC(OC2CCCC(C3CC3)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CCC1N(C)C| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 555.76 | Num_heavy_atoms: | 40 |
| TPSA: | 85.3 | NumAromaticRings: | 0 |
