Glycoside
GD138074
Name:
2-(4-{15,16-dihydroxy-6-methoxy-7,9,13-trimethyl-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-yl}-2-methylidenebutoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H62O15Smiles:
C=C(CCC1(OC)OC2CC3C4CC=C5CC(O)C(O)C(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 770.91 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD55752
Formula: C28H44O6
Smiles:
C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.65 | Num_heavy_atoms: | 34 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
