Glycoside
GD001961
Name:
FRUTICOSIDE CFormula:
C35H56O8Smiles:
C=C(CC[C@H](C(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@]21C)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CCC2C3=CCC4C(C)C(O)C(O)CC4(C)C3CCC21C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 604.82 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD01910
Formula: C29H46O4
Smiles:
C=C(CCC(C(=O)O)C1CCC2C3=CCC4C(C)C(O)C(O)CC4(C)C3CCC21C)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
