Glycoside
GD140380
Name:
(6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4,5-trihydroxyphenyl)prop-2-enoateFormula:
C30H26O17Smiles:
O=C(C=Cc1cc(O)c(O)c(O)c1)OCC1OC(Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1cc(O)c(O)c(O)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.2 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.52 | Num_heavy_atoms: | 47 |
| TPSA: | 297.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD16484
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
AD22924
Formula: C10H10O5
Smiles:
COC(=O)C=Cc1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
