Glycoside
GD158371
Name:
Cleistrioside 3Formula:
C40H66O18Smiles:
CCCCCCCCCCCCOC1OC(C)C(OC(C)=O)C(OC2OC(C)C(OC(C)=O)C(OC3OC(C)C(OC(C)=O)C(O)C3OC(C)=O)C2OC(C)=O)C1OAglycone:
CCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(O)OC(C)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 21 |
| MolWt: | 834.95 | Num_heavy_atoms: | 58 |
| TPSA: | 227.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD00833
Formula: C12H26O
Smiles:
CCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 186.34 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
Sugarmoiety
SD10690
CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(O)OC(C)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1O