Glycoside
GD023845
Name:
Cauloside BFormula:
C35H56O9Smiles:
CC1(C)CC[C@@]2(C(=O)O)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD08856
Formula: C30H48O5
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
