Glycoside
GD035637
Name:
ChivosazolFormula:
C49H71O12NSmiles:
CO[C@@H]1[C@@H](O[C@@H]2C=CC=Cc3coc(n3)[C@H](C)[C@H](OC)C[C@H](O)C=CC=CC=C[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)C=CC=CC=CC(C)=C[C@H]2C)O[C@@H](C)[C@@H](O)[C@H]1OCAglycone:
COC1CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC(C)C(O)C=CC=Cc2coc(n2)C1CSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 6.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 866.1 | Num_heavy_atoms: | 62 |
| TPSA: | 179.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD16622
Formula: C41H57O8N
Smiles:
COC1CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC(C)C(O)C=CC=Cc2coc(n2)C1C| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 6.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 691.91 | Num_heavy_atoms: | 50 |
| TPSA: | 142.48 | NumAromaticRings: | 1 |
