Glycoside
GD150322
Name:
2-{[5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,â¹.0²,â¶.0¹â°,¹âµ]nonadecan-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H56O8Smiles:
CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23CCC2(CC(OC4OC(CO)C(O)C(O)C4O)CCC12C)OO3Aglycone:
CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23CCC2(CC(O)CCC12C)OO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.81 | Num_heavy_atoms: | 42 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD60056
Formula: C28H46O3
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23CCC2(CC(O)CCC12C)OO3| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
