Glycoside
GD140436
Name:
35-36Formula:
C90H152O28Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(OC3OCC(O)C(OC)C3OC)CC3C=CCC(CC(OC)CC(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)CC(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: | 0.84 |
| AlogP: | 9.16 | Num_rotatable_bonds: | 24 |
| MolWt: | 1682.18 | Num_heavy_atoms: | 118 |
| TPSA: | 362.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD56628
Formula: C76H128O20
Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3C=CCC(CC(OC)CC(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: | 9.62 | Num_rotatable_bonds: | 16 |
| MolWt: | 1361.84 | Num_heavy_atoms: | 96 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
