Glycoside
GD104751
Name:
NoneFormula:
C25H23O10NSmiles:
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccco2)c1Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.NCc1ccco1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 497.46 | Num_heavy_atoms: | 36 |
| TPSA: | 150.6 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD44013
Formula: C8H8O2
Smiles:
COc1cccc(C=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
