Glycoside
GD154119
Name:
1-(3,4-dihydroxyphenyl)-2-[(5-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]ethan-1-oneFormula:
C29H36O16Smiles:
CC1OC(OC2C(O)C(OCC(=O)c3ccc(O)c(O)c3)OC(CO)C2OC(O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(CO)c1ccc(O)c(O)c1.Oc1ccc(C=CC(O)O)cc1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD57215
Formula: C8H8O4
Smiles:
O=C(CO)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD61254
Formula: C9H10O4
Smiles:
Oc1ccc(C=CC(O)O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
