Glycoside
GD093226
Name:
NoneFormula:
C23H19O8NSmiles:
O=C(O[C@H](C(=O)NCc1ccco1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1Aglycone:
NCc1ccco1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 437.4 | Num_heavy_atoms: | 32 |
| TPSA: | 132.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD12423
Formula: C5H7ON
Smiles:
NCc1ccco1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 39.16 | NumAromaticRings: | 1 |
