Glycoside
GD012016
Name:
NoneFormula:
C39H62O12Smiles:
CC1CC[C@]2(OC1)OC1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC6OC(C)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@@]5(C)[C@H]4C(=O)C[C@@]3(C)C1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 722.91 | Num_heavy_atoms: | 51 |
| TPSA: | 173.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD01997
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
