Glycoside
GD132873
Name:
Undulatumoside AFormula:
C26H42O6Smiles:
CC=C(C)C(=O)OC1C(O)C(C)OC(OC(C)(C)C2CCC(C)C3CCC(C)=C3C2)C1OAglycone:
CC1=C2CC(C(C)(C)O)CCC(C)C2CC1.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.62 | Num_heavy_atoms: | 32 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD53794
Formula: C15H26O
Smiles:
CC1=C2CC(C(C)(C)O)CCC(C)C2CC1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
