Glycoside
GD152647
Name:
(2-{[3-(hexadecanoyloxy)-5-hydroxy-4-[(7-hydroxy-2,4,6-trimethyldocosanoyl)oxy]-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acidFormula:
C53H100O17SSmiles:
CCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)OC(CO)C(O)C1OC(=O)C(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)C(=O)O.O=S(=O)(O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 8.54 | Num_rotatable_bonds: | 42 |
| MolWt: | 1041.43 | Num_heavy_atoms: | 71 |
| TPSA: | 265.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD47284
Formula: C25H50O3
Smiles:
CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 7.6 | Num_rotatable_bonds: | 20 |
| MolWt: | 398.67 | Num_heavy_atoms: | 28 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
