Glycoside
GD031561
Name:
NoneFormula:
C43H62O16Smiles:
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]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@]4(C)C[C@H](COC4=O)[C@@]3(C)CC[C@]21CAglycone:
CC12CC(COC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 834.95 | Num_heavy_atoms: | 59 |
| TPSA: | 256.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD00338
Formula: C31H46O4
Smiles:
CC12CC(COC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 482.71 | Num_heavy_atoms: | 35 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
