Glycoside
GD145426
Name:
NoneFormula:
C36H56O31SSmiles:
O=S(=O)(O)OC1C(CO)OC(OC2C3COC2C(O)C(OC2C(O)C(CO)OC(OC4C5COC4C(O)C(OC4C(O)C(O)OC(CO)C4O)O5)C2O)O3)C(O)C1OC1OC2COC(C2O)C1OAglycone:
O=S(=O)(O)O.OC1OC2COC(C1O)C2O.OC1OC2COC(C1O)C2O.OC1OC2COC(C1O)C2OSugarmoiety:
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: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -11.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 1016.88 | Num_heavy_atoms: | 68 |
| TPSA: | 455.81 | 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 |
AD02564
Formula: C6H10O5
Smiles:
OC1OC2COC(C1O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
