Glycoside
GD155596
Name:
5-hydroxy-2,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoateFormula:
C37H32O24Smiles:
COC(=O)Cc1c(C(=O)OC2C(OC(=O)c3cc(O)c(O)c(O)c3)OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1OAglycone:
COC(=O)Cc1c(C(=O)O)cc(O)c(O)c1O.COC(=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:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.22 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 860.64 | Num_heavy_atoms: | 61 |
| TPSA: | 403.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
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 |
AD61710
Formula: C10H10O7
Smiles:
COC(=O)Cc1c(C(=O)O)cc(O)c(O)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.18 | Num_heavy_atoms: | 17 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
