Glycoside
GD149375
Name:
4-[2-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)ethyl]phenyl 3,4,5-trihydroxybenzoateFormula:
C28H28O15Smiles:
O=C(OCC1OC(OCCc2ccc(OC(=O)c3cc(O)c(O)c(O)c3)cc2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(Oc1ccc(CCO)cc1)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 604.52 | Num_heavy_atoms: | 43 |
| TPSA: | 253.13 | NumAromaticRings: | 3 |
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 |
AD59743
Formula: C15H14O6
Smiles:
O=C(Oc1ccc(CCO)cc1)c1cc(O)c(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
