Glycoside
GD136410
Name:
5-hydroxy-2-[3-hydroxy-5-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C33H40O17Smiles:
COc1c(-c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)c(CC=C(C)C)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
COc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.67 | Num_heavy_atoms: | 50 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD55141
Formula: C21H20O7
Smiles:
COc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
