Glycoside
GD126798
Name:
4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-[2-(3,4-dihydroxyphenyl)-2-ethoxyethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C37H50O21Smiles:
CCOC(COC1OC(CO)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O)c1ccc(O)c(O)c1Aglycone:
CCOC(CO)c1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 15 |
| MolWt: | 830.79 | Num_heavy_atoms: | 58 |
| TPSA: | 333.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD51320
Formula: C10H14O4
Smiles:
CCOC(CO)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
