Glycoside
GD135935
Name:
{[16-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)icosyl]oxy}sulfonic acidFormula:
C32H62O13SSmiles:
CCCCC(CCCCCCCCCCCCCCCOS(=O)(=O)O)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CCCCC(O)CCCCCCCCCCCCCCCOS(=O)(=O)OSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 24 |
| MolWt: | 686.9 | Num_heavy_atoms: | 46 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD54952
Formula: C20H42O5S
Smiles:
CCCCC(O)CCCCCCCCCCCCCCCOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 20 |
| MolWt: | 394.62 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
