Glycoside
GD000964
Name:
TARENNINOSIDE BFormula:
C23H24O12Smiles:
O=C(O)C1=CO[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C(=O)O)=CC[C@H]12Aglycone:
COC(=O)c1ccccc1.O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01005
Formula: C10H10O6
Smiles:
O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.18 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
