Glycoside
GD157628
Name:
Ligupurpuroside CFormula:
C35H46O17Smiles:
CC1OC(OC2C(C)OC(OC3C(O)C(COC(=O)C=Cc4ccc(O)cc4)OC(OCCc4ccc(O)cc4)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 738.74 | Num_heavy_atoms: | 52 |
| TPSA: | 263.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
