Glycoside
GD114529
Name:
2-{[15-hydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H42O8Smiles:
C=C1C2CCC3C(C2)(CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(C)CCCC23CO)C1OAglycone:
C=C1C2CCC3C(C2)(CC(O)C2C(C)(C)CCCC23CO)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45115
Formula: C20H32O3
Smiles:
C=C1C2CCC3C(C2)(CC(O)C2C(C)(C)CCCC23CO)C1O| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
