Glycoside
GD129115
Name:
(6-{[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C58H52O28Smiles:
O=C(OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2cc(O)c(O)c(O)c2)C(O)C3)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 11 |
| HBD: | 21 | FractionCSP3: | 0.26 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 1197.03 | Num_heavy_atoms: | 86 |
| TPSA: | 497.28 | NumAromaticRings: | 7 |
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 |
AD52298
Formula: C45H38O19
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2| HBA: | 19 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.2 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 882.78 | Num_heavy_atoms: | 64 |
| TPSA: | 351.37 | NumAromaticRings: | 6 |
