Glycoside
GD123292
Name:
ethyl 3-{3-cyclohexyl-7-[2-(methylamino)ethoxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C28H41O10NSmiles:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OCCNC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OCCNC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 551.63 | Num_heavy_atoms: | 39 |
| TPSA: | 160.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD49739
Formula: C22H31O5N
Smiles:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OCCNC)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 389.49 | Num_heavy_atoms: | 28 |
| TPSA: | 80.93 | NumAromaticRings: | 2 |
