Glycoside
GD145298
Name:
2-[(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)methoxy]-6-methyloxane-3,4,5-triolFormula:
C33H56O12Smiles:
COC1C(COC2OC(C)C(O)C(O)C2O)OC(OCC2(C)CCCC3(C)C2CCC24CC(CCC23)C(O)(CO)C4)C(O)C1OAglycone:
CC1(CO)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3Sugarmoiety:
COC1C(COC2OC(C)C(O)C(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 644.8 | Num_heavy_atoms: | 45 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
