Glycoside
GD027676
Name:
2-{[8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C37H62O9Smiles:
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@]3(C)CO)[C@H]12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.89 | Num_heavy_atoms: | 46 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD01512
Formula: C31H52O5
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.75 | Num_heavy_atoms: | 36 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
