Glycoside
GD130108
Name:
{6-[5-(5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(3,4-dihydroxyphenyl)but-2-enoateFormula:
C37H38O20Smiles:
O=C(C=CCc1ccc(O)c(O)c1)OCC1OC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3OC3OC(CO)C(O)C(O)C3O)ccc2O)C(O)C(O)C1OAglycone:
COC(=O)C=CCc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.35 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 802.69 | Num_heavy_atoms: | 57 |
| TPSA: | 336.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
AD52714
Formula: C11H12O4
Smiles:
COC(=O)C=CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
