Glycoside
GD129580
Name:
6-{[6,8-dihydroxy-3-(3-hydroxyphenyl)-1-oxo-1,4-dihydronaphthalen-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C29H26O14Smiles:
O=C(OC1C(CO)OC(OC2=C(c3cccc(O)c3)Cc3cc(O)cc(O)c3C2=O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C1C(O)=C(c2cccc(O)c2)Cc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.51 | Num_heavy_atoms: | 43 |
| TPSA: | 243.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD52494
Formula: C16H12O5
Smiles:
O=C1C(O)=C(c2cccc(O)c2)Cc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
