Glycoside
GD123074
Name:
{6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 6-aminohexanoateFormula:
C27H31O11NSmiles:
NCCCCCC(=O)OCC1OC(Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)C(O)C(O)C1OAglycone:
COC(=O)CCCCCN.O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 545.54 | Num_heavy_atoms: | 39 |
| TPSA: | 202.14 | 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 |
AD25968
Formula: C7H15O2N
Smiles:
COC(=O)CCCCCN| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
