Glycoside
GD135815
Name:
NeobacinFormula:
C26H28O14Smiles:
O=c1c(-c2ccc(OC3OCC(O)(CO)C3O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
OCC1(O)COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD02603
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
