Glycoside
GD139136
Name:
Chivosazole CFormula:
C47H67O12NSmiles:
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(OC2OC(C)C(O)C(O)C2O)C=CC=Cc2coc(n2)C1CAglycone:
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:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 838.05 | Num_heavy_atoms: | 60 |
| TPSA: | 201.4 | 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 |
