Glycoside
GD131211
Name:
36-37Formula:
C91H154O28Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(OC3OCC(O)C(OC)C3OC)CC3C=CCC(CC(OC)C(C)C(O)CC(O)C(C)C(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)OC(=O)C=CC(C)=CCC(OC4OCC(O)C(OC)C4OC)CC4C=CCC(CC(OC)CC(O)CC(O)C2C)O4)O3)C1Aglycone:
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3C=CCC(CC(OC)C(C)C(O)CC(O)C(C)C(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)OC(=O)C=CC(C)=CCC(O)CC4C=CCC(CC(OC)CC(O)CC(O)C2C)O4)O3)C1Sugarmoiety:
COC1C(O)COC(O)C1OC.COC1C(O)COC(O)C1OCOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 9.41 | Num_rotatable_bonds: | 24 |
| MolWt: | 1696.2 | Num_heavy_atoms: | 119 |
| TPSA: | 362.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD53166
Formula: C77H130O20
Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3C=CCC(CC(OC)C(C)C(O)CC(O)C(C)C(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)OC(=O)C=CC(C)=CCC(O)CC4C=CCC(CC(OC)CC(O)CC(O)C2C)O4)O3)C1| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 9.86 | Num_rotatable_bonds: | 16 |
| MolWt: | 1375.87 | Num_heavy_atoms: | 97 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
