Glycoside
GD142208
Name:
3,4,5-trihydroxyphenyl 2-[6-(8,16-dihydroxy-7,15-dimethoxy-3,11-dioxo-14-{3,4,5-trihydroxy-6-[2-oxo-2-(3,4,5-trihydroxyphenoxy)ethyl]oxan-2-yl}-2-oxatricyclo[10.4.0.0â´,â¹]hexadeca-1(12),4,6,8,13,15-hexaen-6-yl)-3,4,5-trihydroxyoxan-2-yl]acetateFormula:
C43H42O25Smiles:
COc1c(C2OC(CC(=O)Oc3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc2c(c1O)CC(=O)c1cc(C3OC(CC(=O)Oc4cc(O)c(O)c(O)c4)C(O)C(O)C3O)c(OC)c(O)c1OC2=OAglycone:
CC(=O)Oc1cc(O)c(O)c(O)c1.CC(=O)Oc1cc(O)c(O)c(O)c1.COc1ccc2c(c1O)CC(=O)c1ccc(OC)c(O)c1OC2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.35 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 958.78 | Num_heavy_atoms: | 68 |
| TPSA: | 416.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD57232
Formula: C8H8O5
Smiles:
CC(=O)Oc1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD57233
Formula: C17H14O7
Smiles:
COc1ccc2c(c1O)CC(=O)c1ccc(OC)c(O)c1OC2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 102.29 | NumAromaticRings: | 2 |
