Glycoside
GD030810
Name:
TOXICARIOSIDE BFormula:
C30H44O11Smiles:
CO[C@@H]1[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4C[C@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H](O)[C@H]1OAglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.67 | Num_heavy_atoms: | 41 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06932
Formula: C23H32O7
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
