Glycoside
GD140339
Name:
1,1',3',4,6',7',8-heptahydroxy-6-methoxy-2'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H-[2,4'-bixanthene]-9,9'-dioneFormula:
C33H26O18Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c(OC5OC(CO)C(O)C(O)C5O)c(O)c5c(=O)c6cc(O)c(O)cc6oc45)cc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c(O)c(O)c5c(=O)c6cc(O)c(O)cc6oc45)cc(O)c3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.21 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 710.55 | Num_heavy_atoms: | 51 |
| TPSA: | 310.64 | NumAromaticRings: | 6 |
Unique Aglycone
AD56588
Formula: C27H16O13
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c(O)c(O)c5c(=O)c6cc(O)c(O)cc6oc45)cc(O)c3oc2c1| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.04 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 548.41 | Num_heavy_atoms: | 40 |
| TPSA: | 231.49 | NumAromaticRings: | 6 |
