Glycoside
GD124206
Name:
16-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-11-en-8-oneFormula:
C41H66O12Smiles:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C5(C)C)C2(C)CCC13Aglycone:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD02728
Formula: C30H48O4
Smiles:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
