Glycoside
GD122294
Name:
Bispolide B3Formula:
C64H104O19Smiles:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(OC3OC(C)C(O)C(O)C3O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)OC(=O)C=C1Aglycone:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 7.36 | Num_rotatable_bonds: | 20 |
| MolWt: | 1177.52 | Num_heavy_atoms: | 83 |
| TPSA: | 268.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD49266
Formula: C52H84O12
Smiles:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=C1| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 8.63 | Num_rotatable_bonds: | 16 |
| MolWt: | 901.23 | Num_heavy_atoms: | 64 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
