Glycoside
GD124033
Name:
Sublanceoside D1Formula:
C45H68O18Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CC5=CCC6C(=O)C(c7ccoc7C)CCC6C5(C)CC4O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 897.02 | Num_heavy_atoms: | 63 |
| TPSA: | 254.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD46211
Formula: C20H26O4
Smiles:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
