Glycoside
GD117553
Name:
(4,5-dihydroxy-6-{[14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-5-yl]methoxy}-3-methoxyoxan-2-yl)methyl acetateFormula:
C29H48O9Smiles:
COC1C(COC(C)=O)OC(OCC2(C)CCCC3(C)C2CCC24CC(CCC23)C(O)(CO)C4)C(O)C1OAglycone:
CC1(CO)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3.COC(C)=OSugarmoiety:
COC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.69 | Num_heavy_atoms: | 38 |
| TPSA: | 134.91 | 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 |
AD46879
Formula: C20H34O3
Smiles:
CC1(CO)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
