Glycoside
GD142851
Name:
1,7-bis(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-({[3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxan-2-yl]oxy}heptan-3-oneFormula:
C30H40O12Smiles:
O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(CO)C2O)C(O)C(O)C1OAglycone:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OCC1COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 14 |
| MolWt: | 592.64 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD02986
Formula: C19H22O4
Smiles:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
