Glycoside
GD157635
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H26O11Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.53 | Num_heavy_atoms: | 41 |
| TPSA: | 176.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD21411
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
