Glycoside
GD019021
Name:
NoneFormula:
C33H27O9NSmiles:
O=C1C=CC(=O)C([C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)=C1Aglycone:
CNC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C1C=CC(=O)C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 581.58 | Num_heavy_atoms: | 43 |
| TPSA: | 145.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD06445
Formula: C6H4O2
Smiles:
O=C1C=CC(=O)C=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.1 | Num_heavy_atoms: | 8 |
| TPSA: | 34.14 | NumAromaticRings: | 0 |
