Glycoside
GD122866
Name:
Chivosazole BFormula:
C48H69O12NSmiles:
COC1C(OC2C=CC=Cc3coc(n3)C(C)C(O)CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC2C)OC(C)C(O)C1OCAglycone:
CC1=CC(C)C(O)C=CC=Cc2coc(n2)C(C)C(O)CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=C1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 6.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 852.08 | Num_heavy_atoms: | 61 |
| TPSA: | 190.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD49551
Formula: C40H55O8N
Smiles:
CC1=CC(C)C(O)C=CC=Cc2coc(n2)C(C)C(O)CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=C1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 6.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 677.88 | Num_heavy_atoms: | 49 |
| TPSA: | 153.48 | NumAromaticRings: | 1 |
