Glycoside
GD137865
Name:
Sublanceoside E3Formula:
C40H60O14Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CC5=CCC6C(=O)C(O)(c7ccoc7C)CCC6C5(C)CC4O)CC3OC)OC2C)OC(C)C1OAglycone:
Cc1occc1C1(O)CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 764.91 | Num_heavy_atoms: | 54 |
| TPSA: | 184.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD45120
Formula: C20H26O5
Smiles:
Cc1occc1C1(O)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
