Glycoside
GD121953
Name:
5-({[6-(2-ethylphenyl)-3-methylhex-5-en-1-yl]azaniumyl}methyl)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateFormula:
C37H41O10NSmiles:
CCc1ccccc1C=CCC(C)CCNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1OAglycone:
CCc1ccccc1C=CCC(C)CCNC.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 659.73 | Num_heavy_atoms: | 48 |
| TPSA: | 178.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD49117
Formula: C16H25N
Smiles:
CCc1ccccc1C=CCC(C)CCNC| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 231.38 | Num_heavy_atoms: | 17 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
