Glycoside
GD154371
Name:
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-{4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-7-methoxy-4H-chromen-4-oneFormula:
C27H30O15Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C3O)c(-c3ccc(O)c(OC4OC(C)C(O)C(O)C4O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD01092
Formula: C16H12O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
