Glycoside
GD135580
Name:
5-[({4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl}oxy)carbonyl]-2,3-dihydroxyphenyl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoateFormula:
C34H28O21Smiles:
O=C(OCC1OCC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.18 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.58 | Num_heavy_atoms: | 55 |
| TPSA: | 357.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD54821
Formula: C21H14O13
Smiles:
O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.33 | Num_heavy_atoms: | 34 |
| TPSA: | 231.51 | NumAromaticRings: | 3 |
