Glycoside
GD139316
Name:
{6-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H28O11Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.54 | Num_heavy_atoms: | 41 |
| TPSA: | 194.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00446
Formula: C15H12O4
Smiles:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
