Glycoside
GD143782
Name:
1,2,5-trihydroxy-6-oxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C21H28O12Smiles:
CC1OC(OC(C(O)C=O)C(OC(=O)C=Cc2ccc(O)cc2)C(O)CO)C(O)C(O)C1OAglycone:
O=CC=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC(C(O)C=O)C(OO)C(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
