Glycoside
GD131518
Name:
NoneFormula:
C29H36O16Smiles:
COc1cc(C2=C(OC3OC(C)C(O)C(O)C3O)C=C3[C](C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[OH+]2)cc(OC)c1OAglycone:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 250.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD45128
Formula: C17H17O7
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.32 | Num_heavy_atoms: | 24 |
| TPSA: | 112.18 | NumAromaticRings: | 1 |
