Glycoside
GD114250
Name:
NoneFormula:
C30H50O15Smiles:
CC(=O)OCC1OC(OCC(O)C(O)CO)C(OC(C)=O)C(OC(=O)CCCCCCCCCCCCC(=O)O)C1OC(C)=OAglycone:
COC(C)=O.O=C(O)CCCCCCCCCCCCC(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(OCC(O)C(O)CO)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 23 |
| MolWt: | 650.72 | Num_heavy_atoms: | 45 |
| TPSA: | 221.65 | 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 |
AD44934
Formula: C14H26O4
Smiles:
O=C(O)CCCCCCCCCCCCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 258.36 | Num_heavy_atoms: | 18 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
