Glycoside
GD140610
Name:
{6-[(2-{[2-({21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-19,23-dioxaheptacyclo[13.10.0.0²,¹².0âµ,¹â°.0¹â°,¹².0¹â¶,²â´.0¹â¸,²²]pentacosan-7-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C57H84O22Smiles:
COc1ccc(C=CC(=O)OCC2OC(OC3C(OC4C(OC5CCC67CC68CCC6(C)C9C(CC6(C)C8CCC7C5(C)C)OC5(O)C(OC(C)(C)C5O)C9C)OCC(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21.COC(=O)C=Cc1ccc(OC)c(O)c1Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 11 |
| HBD: | 11 | FractionCSP3: | 0.84 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 1121.28 | Num_heavy_atoms: | 79 |
| TPSA: | 331.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD06791
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD17609
Formula: C30H48O5
Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
