Glycoside
GD154659
Name:
6-({6-[(acetyloxy)methyl]-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoateFormula:
C42H46O20Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2OC2OC(C)C(OC(=O)C(C)=Cc3cc(OC)c(O)c(OC)c3)C(O)C2O)cc1Aglycone:
COC(C)=O.COc1cc(C=C(C)C(=O)O)cc(OC)c1O.COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 870.81 | Num_heavy_atoms: | 62 |
| TPSA: | 289.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07766
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
AD61404
Formula: C12H14O5
Smiles:
COc1cc(C=C(C)C(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
