Glycoside
GD157586
Name:
{6-[(3,5-dihydroxy-4-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C58H52O30Smiles:
O=C(OCC1OC(Oc2cc(O)c3c(c2)OC(c2cc(O)c(O)c(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2cc(O)c(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(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(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: | 30 | RingCount: | 11 |
| HBD: | 23 | FractionCSP3: | 0.26 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 1229.02 | Num_heavy_atoms: | 88 |
| TPSA: | 537.74 | 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 |
AD62294
Formula: C45H38O21
Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2| HBA: | 21 | RingCount: | 9 |
| HBD: | 18 | FractionCSP3: | 0.2 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 914.78 | Num_heavy_atoms: | 66 |
| TPSA: | 391.83 | NumAromaticRings: | 6 |
