Glycoside
GD128281
Name:
(6-{[1,4-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxyphenyl carbonateFormula:
C33H36O15Smiles:
COc1cc(C2OCC3(OC4OC(COC(=O)Oc5ccc(O)cc5)C(O)C(O)C4O)C(c4ccc(O)c(OC)c4)OCC23)ccc1OAglycone:
COC(=O)Oc1ccc(O)cc1.COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.64 | Num_heavy_atoms: | 48 |
| TPSA: | 212.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD06998
Formula: C20H22O7
Smiles:
COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
AD51965
Formula: C8H8O4
Smiles:
COC(=O)Oc1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
