Glycoside
GD128716
Name:
Sch 484130Formula:
C31H54O12Smiles:
CCCCCCCCCC(CCCCCCCCCC(=O)O)OC1OC(COC(C)=O)C(O)C(OC(=O)CC(=O)O)C1OAglycone:
CCCCCCCCCC(O)CCCCCCCCCC(=O)O.COC(C)=O.O=C(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 25 |
| MolWt: | 618.76 | Num_heavy_atoms: | 43 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13454
Formula: C3H4O4
Smiles:
O=C(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.06 | Num_heavy_atoms: | 7 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD52137
Formula: C20H40O3
Smiles:
CCCCCCCCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 18 |
| MolWt: | 328.54 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
