Glycoside
GD136020
Name:
(6-{4-[(5-{4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl}-4-(hydroxymethyl)oxolan-3-yl)methyl]-2,6-dimethoxyphenoxy}-4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C59H68O24Smiles:
COc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc(CC4COC(c5cc(OC)c(OC(c6cc(OC)c(O)c(OC)c6)C(O)CO)c(OC)c5)C4CO)cc3OC)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C=CC(=O)O)ccc1O.COc1cc(CC2COC(c3cc(OC)c(OC(c4cc(OC)c(O)c(OC)c4)C(O)CO)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 26 |
| MolWt: | 1161.17 | Num_heavy_atoms: | 83 |
| TPSA: | 325.2 | NumAromaticRings: | 5 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD54986
Formula: C33H42O13
Smiles:
COc1cc(CC2COC(c3cc(OC)c(OC(c4cc(OC)c(O)c(OC)c4)C(O)CO)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 15 |
| MolWt: | 646.69 | Num_heavy_atoms: | 46 |
| TPSA: | 174.99 | NumAromaticRings: | 3 |
