Glycoside
GD157820
Name:
6-(butan-2-yl)-4,7'-dihydroxy-15'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-4',6',8',10',12',16'-hexaen-3'-oneFormula:
C48H72O13Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C(C)c4cc(O)c(C)cc4C(=O)O3)O2)CC(O)C1CAglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C(C)c4cc(O)c(C)cc4C(=O)O3)O2)CC(O)C1CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 7.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 857.09 | Num_heavy_atoms: | 61 |
| TPSA: | 160.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD62355
Formula: C34H48O7
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C(C)c4cc(O)c(C)cc4C(=O)O3)O2)CC(O)C1C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 568.75 | Num_heavy_atoms: | 41 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
