Glycoside
GD010226
Name:
NoneFormula:
C44H70O14Smiles:
CC(=O)OCOC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
CC(=O)OCOC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 823.03 | Num_heavy_atoms: | 58 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD07937
Formula: C33H52O6
Smiles:
CC(=O)OCOC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.77 | Num_heavy_atoms: | 39 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
