Glycoside
GD129485
Name:
5,9-dihydroxy-2-methyl-9-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4H,8H,9H-oxepino[2,3-h]chromen-4-oneFormula:
C27H34O16Smiles:
Cc1cc(=O)c2c(O)cc3c(c2o1)C=CC(O)(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CO3Aglycone:
Cc1cc(=O)c2c(O)cc3c(c2o1)C=CC(O)(CO)CO3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 258.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD52452
Formula: C15H14O6
Smiles:
Cc1cc(=O)c2c(O)cc3c(c2o1)C=CC(O)(CO)CO3| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
