Glycoside
GD110544
Name:
NoneFormula:
C29H28O9N2Smiles:
CC(=O)N[C@@H](/C=N/O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](O)COC(=O)c1ccccc1Aglycone:
CC(=O)NCC=NO.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
OOCC(O)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 548.55 | Num_heavy_atoms: | 40 |
| TPSA: | 160.82 | 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 |
AD44653
Formula: C4H8O2N2
Smiles:
CC(=O)NCC=NO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 61.69 | NumAromaticRings: | 0 |
