Glycoside
GD026269
Name:
PHRYGIOSIDE BFormula:
C33H57O12SSmiles:
CO[C@H]1[C@H](O)[C@@H](O[C@H](CC[C@H](C)[C@@H]2C[C@H](O)[C@H]3[C@@]2(C)CC[C@H]2[C@@]3(O)C[C@H](O)[C@@H]3C[C@H](O)CC[C@]32C)C(C)C)OC[C@H]1OS(=O)(=O)[O-]Aglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O.O=S(=O)([O-])OSugarmoiety:
COC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 677.87 | Num_heavy_atoms: | 46 |
| TPSA: | 195.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD04465
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
