Glycoside
GD149728
Name:
NoneFormula:
C39H62O31SSmiles:
COC1C(OC2C(O)C(CO)OC(OC3C4COC3C(OC)C(OC3C(O)C(OC5C6COC5C(OC)C(OC5C(O)C(O)OC(CO)C5O)O6)OC(CO)C3OS(=O)(=O)O)O4)C2O)OC2COC1C2OAglycone:
COC1C(O)OC2COC1C2O.COC1C(O)OC2COC1C2O.COC1C(O)OC2COC1C2O.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -9.17 | Num_rotatable_bonds: | 18 |
| MolWt: | 1058.96 | Num_heavy_atoms: | 71 |
| TPSA: | 422.81 | 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 |
