Glycoside
GD133215
Name:
5-[1-(3,4-dihydroxyphenyl)-3-{[(2,3,4,5,6,7-hexahydroxyheptyl)oxy]carbonyl}-6-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2-dihydronaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acidFormula:
C38H46O23Smiles:
O=C(O)C1=CC(O)C(O)C(OC(=O)C2C(C(=O)OCC(O)C(O)C(O)C(O)C(O)CO)=Cc3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3C2c2ccc(O)c(O)c2)C1Aglycone:
O=CC1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC1CC(C(=O)O)=CC(O)C1OSugarmoiety:
OCC(O)C(O)C(O)C(O)C(O)COO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.5 |
| AlogP: | -5.48 | Num_rotatable_bonds: | 15 |
| MolWt: | 870.76 | Num_heavy_atoms: | 61 |
| TPSA: | 411.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD53930
Formula: C25H22O11
Smiles:
O=CC1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC1CC(C(=O)O)=CC(O)C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.44 | Num_heavy_atoms: | 36 |
| TPSA: | 202.05 | NumAromaticRings: | 2 |
