Glycoside
GD137058
Name:
16-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-(5,5-dimethyloxolan-2-yl)-10-hydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-11-en-8-oneFormula:
C41H64O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C5=CC(O)C67C(=O)OC(C)(C8CCC(C)(C)O8)C6CCC7(C)C5CCC4C3(C)C)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24)O1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD06592
Formula: C30H46O5
Smiles:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
