Glycoside
GD002713
Name:
GlycyrrhizinFormula:
C42H62O16Smiles:
CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 822.94 | Num_heavy_atoms: | 58 |
| TPSA: | 267.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD02343
Formula: C30H46O4
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
