Glycoside
GD145423
Name:
(3,4,5-trihydroxy-6-{[15-hydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-3-yl]oxy}oxan-2-yl)methyl acetateFormula:
C28H44O9Smiles:
C=C1C2CCC3C(C2)(CC(OC2OC(COC(C)=O)C(O)C(O)C2O)C2C(C)(C)CCCC23CO)C1OAglycone:
C=C1C2CCC3C(C2)(CC(O)C2C(C)(C)CCCC23CO)C1O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.65 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
