Glycoside
GD001987
Name:
2-({3-ethenyl-3,4a,7,10a-tetramethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl}methoxy)oxane-3,4,5-triolFormula:
C25H42O6Smiles:
C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@H]3[C@@](C)(CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)CCC[C@]32C)O1Aglycone:
C=CC1(C)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.61 | Num_heavy_atoms: | 31 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD01934
Formula: C20H34O2
Smiles:
C=CC1(C)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
