Glycoside
GD138970
Name:
{3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]oxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C32H39O10NSmiles:
COc1cc(C=CC(=O)OCC2OC(Oc3ccc(C4=C(C)CC5CCCN5C4)cc3)C(O)C(O)C2O)cc(OC)c1OAglycone:
CC1=C(c2ccc(O)cc2)CN2CCCC2C1.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 597.66 | Num_heavy_atoms: | 43 |
| TPSA: | 147.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD47069
Formula: C15H19ON
Smiles:
CC1=C(c2ccc(O)cc2)CN2CCCC2C1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.32 | Num_heavy_atoms: | 17 |
| TPSA: | 23.47 | NumAromaticRings: | 1 |
