Glycoside
GD035085
Name:
[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylateFormula:
C27H22O18Smiles:
O=C(O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c3oc(=O)c4cc(O)c(O)c(O)c4c23)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c2oc(=O)c3cc(O)c(O)c(O)c3c12.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.22 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 634.46 | Num_heavy_atoms: | 45 |
| TPSA: | 314.57 | NumAromaticRings: | 4 |
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 |
AD22220
Formula: C15H10O9
Smiles:
COC(=O)c1cc(O)c(O)c2oc(=O)c3cc(O)c(O)c(O)c3c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.24 | Num_heavy_atoms: | 24 |
| TPSA: | 157.66 | NumAromaticRings: | 3 |
