Glycoside
GD126430
Name:
5,6-dihydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)propanoateFormula:
C21H30O13Smiles:
CC1OC(OC2C(O)C(O)OC(CO)C2OC(=O)CCc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(O)CCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD45057
Formula: C9H10O4
Smiles:
O=C(O)CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
