Glycoside
GD143037
Name:
2-[2-(5,7-dihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-4-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 4-hydroxy-3-methoxybenzoateFormula:
C30H30O15Smiles:
COc1cc(C(=O)OC2C(Oc3ccc(O)cc3C3CC(=O)c4c(cc(O)c(OC)c4O)O3)OC(CO)C(O)C2O)ccc1OAglycone:
COc1c(O)cc2c(c1O)C(=O)CC(c1cc(O)ccc1O)O2.COc1cc(C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 630.56 | Num_heavy_atoms: | 45 |
| TPSA: | 231.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD46549
Formula: C16H14O7
Smiles:
COc1c(O)cc2c(c1O)C(=O)CC(c1cc(O)ccc1O)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
