Glycoside
GD105135
Name:
NoneFormula:
C26H23O9NSmiles:
COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)c1Aglycone:
COc1ccc(OC)c(N)c1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 493.47 | Num_heavy_atoms: | 36 |
| TPSA: | 137.46 | 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 |
AD44038
Formula: C8H11O2N
Smiles:
COc1ccc(OC)c(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.48 | NumAromaticRings: | 1 |
