Glycoside
GD110903
Name:
NoneFormula:
C37H56O12Smiles:
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 692.84 | Num_heavy_atoms: | 49 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD44676
Formula: C31H48O6
Smiles:
CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
