Glycoside
GD117226
Name:
(6-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C30H36O16Smiles:
CC1OC(OC2C(O)C(COC(=O)C=Cc3ccc(O)c(O)c3)OC(OC(=O)CCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)CCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 262.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
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 |
