Glycoside
GD120770
Name:
[3,4,5,6-tetrakis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)benzoateFormula:
C55H40O34Smiles:
O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1Aglycone:
COC(=O)c1cc(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 8 |
| HBD: | 19 | FractionCSP3: | 0.11 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 15 |
| MolWt: | 1244.89 | Num_heavy_atoms: | 89 |
| TPSA: | 577.7 | NumAromaticRings: | 7 |
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 |
AD48555
Formula: C22H16O13
Smiles:
COC(=O)c1cc(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.05 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.36 | Num_heavy_atoms: | 35 |
| TPSA: | 220.51 | NumAromaticRings: | 3 |
