Glycoside
GD142723
Name:
2-{[19-butoxy-8-(6-hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H66O9Smiles:
CCCCOC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)CAglycone:
CCCCOC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 690.96 | Num_heavy_atoms: | 49 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD57432
Formula: C34H56O4
Smiles:
CCCCOC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.82 | Num_heavy_atoms: | 38 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
