Glycoside
GD130331
Name:
NoneFormula:
C26H42O22SSmiles:
COC1C(OC2C(O)C(OC3C4COC3C(OC)C(OC3C(O)C(O)OC(CO)C3O)O4)OC(CO)C2OS(=O)(=O)O)OC2COC1C2OAglycone:
COC1C(O)OC2COC1C2O.COC1C(O)OC2COC1C2O.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -6.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 738.67 | Num_heavy_atoms: | 49 |
| TPSA: | 306.74 | 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 |
AD52812
Formula: C7H12O5
Smiles:
COC1C(O)OC2COC1C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
