Glycoside
GD019318
Name:
NoneFormula:
C33H27O9NSmiles:
O=C(O[C@@H]1[C@@H](Oc2ccc(C=NO)cc2)OC[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.ON=Cc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 581.58 | Num_heavy_atoms: | 43 |
| TPSA: | 129.95 | NumAromaticRings: | 4 |
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 |
AD04725
Formula: C7H7O2N
Smiles:
ON=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
