Glycoside
GD119178
Name:
2-[6-hydroxy-2-methyl-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl] 2'-methyl 4,4',5,5',6,6'-hexahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylateFormula:
C35H30O22Smiles:
COC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)OC2C(C)OC(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)O)cc(O)c(O)c1O.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.2 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 802.6 | Num_heavy_atoms: | 57 |
| TPSA: | 377.42 | 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 |
AD47708
Formula: C15H12O10
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)O)cc(O)c(O)c1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.25 | Num_heavy_atoms: | 25 |
| TPSA: | 184.98 | NumAromaticRings: | 2 |
