Glycoside
GD124358
Name:
4-hydroxy-1-[methoxy(oxo)methane]cyclohexylFormula:
C50H54O26Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C=C3[C](C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[OH+]2)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)c1ccc(O)cc1.COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)ccc1OSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.38 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 16 |
| MolWt: | 1070.96 | Num_heavy_atoms: | 76 |
| TPSA: | 413.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45539
Formula: C16H15O6
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 303.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.95 | NumAromaticRings: | 1 |
