Glycoside
GD140050
Name:
{3,4,5-trihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C30H28O13Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(C2c3cc(CO)cc(O)c3C(=O)c3c(O)ccc(O)c32)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C1c2c(O)cc(CO)cc2Cc2c(O)ccc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.27 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 596.54 | Num_heavy_atoms: | 43 |
| TPSA: | 234.67 | NumAromaticRings: | 3 |
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 |
AD51533
Formula: C15H12O5
Smiles:
O=C1c2c(O)cc(CO)cc2Cc2c(O)ccc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
