Glycoside
GD142766
Name:
2,5,7-trihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4a,8a-dihydro-4H-chromen-4-oneFormula:
C27H38O19Smiles:
CC1OC(OC2C(OC3=C(O)OC4C=C(O)C=C(O)C4C3=O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1C(O)=C(O)OC2C=C(O)C=C(O)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 666.58 | Num_heavy_atoms: | 46 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD57446
Formula: C9H8O6
Smiles:
O=C1C(O)=C(O)OC2C=C(O)C=C(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.16 | Num_heavy_atoms: | 15 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
