Glycoside
GD030252
Name:
NoneFormula:
C36H56O12Smiles:
C[C@]1(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)O)[C@H](O)C[C@]3(C(=O)O)CC[C@@]21CAglycone:
CC1(C(=O)O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.83 | Num_heavy_atoms: | 48 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD19584
Formula: C30H46O7
Smiles:
CC1(C(=O)O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
