Glycoside
GD132108
Name:
Gnemonoside KFormula:
C60H62O24Smiles:
OCC1OC(Oc2ccc(C=Cc3cc(O)c4c(c3)OC(c3ccc(OC5OC(CO)C(O)C(O)C5O)cc3)C4c3cc(O)c4c(c3)OC(c3ccc(OC5OC(CO)C(O)C(O)C5O)cc3)C4c3cc(O)cc(O)c3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.37 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 1167.13 | Num_heavy_atoms: | 84 |
| TPSA: | 397.52 | NumAromaticRings: | 6 |
Unique Aglycone
AD48120
Formula: C42H32O9
Smiles:
Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1| HBA: | 9 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 8.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.71 | Num_heavy_atoms: | 51 |
| TPSA: | 160.07 | NumAromaticRings: | 6 |
