Glycoside
GD025977
Name:
NoneFormula:
C42H62O15Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C=O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12Aglycone:
CC1(C=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: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 806.94 | Num_heavy_atoms: | 57 |
| TPSA: | 246.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD08559
Formula: C30H46O3
Smiles:
CC1(C=O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
