Glycoside
GD130427
Name:
{6-[(3,7-dimethyl-8-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}octa-1,6-dien-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C44H58O20Smiles:
C=CC(C)(CCC=C(C)COC1OC(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C(O)C(O)C1O)OC1OC(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CO.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 21 |
| MolWt: | 906.93 | Num_heavy_atoms: | 64 |
| TPSA: | 288.28 | 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 |
AD13647
Formula: C10H18O2
Smiles:
C=CC(C)(O)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
