Glycoside
GD015621
Name:
NoneFormula:
C39H64O14Smiles:
COC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12CAglycone:
COC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 203.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD11332
Formula: C21H34O5
Smiles:
COC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.5 | Num_heavy_atoms: | 26 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
