Glycoside
GD126832
Name:
Bispolide A1Formula:
C62H100O18Smiles:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(O)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)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(O)CC(O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)CC(O)C(CC)C(C)O2)OC(=O)C=C1Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | 7.08 | Num_rotatable_bonds: | 18 |
| MolWt: | 1133.46 | Num_heavy_atoms: | 80 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD51339
Formula: C50H80O12
Smiles:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(O)CC(O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)CC(O)C(CC)C(C)O2)OC(=O)C=C1| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 873.18 | Num_heavy_atoms: | 62 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
