Glycoside
GD152235
Name:
4,5-dihydroxy-6-{[(3,4,5-trihydroxycyclohexyl)[(3,4,5-trihydroxyphenyl)methoxy]methoxy]methyl}oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C27H34O16Smiles:
O=C(OC1COC(COC(OCc2cc(O)c(O)c(O)c2)C2CC(O)C(O)C(O)C2)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(OCc1cc(O)c(O)c(O)c1)C1CC(O)C(O)C(O)C1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 276.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD60634
Formula: C15H22O8
Smiles:
COC(OCc1cc(O)c(O)c(O)c1)C1CC(O)C(O)C(O)C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.33 | Num_heavy_atoms: | 23 |
| TPSA: | 139.84 | NumAromaticRings: | 1 |
