Glycoside
GD117687
Name:
2-[(4,5-dihydroxy-2-{[14-(4-hydroxy-6-methylheptan-2-yl)-2,6,15-trimethyl-18-oxatetracyclo[8.7.1.0²,â·.0¹¹,¹âµ]octadeca-1(17),9,11-trien-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H64O13Smiles:
CC(C)CC(O)CC(C)C1CC=C2C3=CCC4C(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C(=CCC21C)O3Aglycone:
CC(C)CC(O)CC(C)C1CC=C2C3=CCC4C(C)C(O)CCC4(C)C(=CCC21C)O3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46959
Formula: C28H44O3
Smiles:
CC(C)CC(O)CC(C)C1CC=C2C3=CCC4C(C)C(O)CCC4(C)C(=CCC21C)O3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 6.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.66 | Num_heavy_atoms: | 31 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
