Glycoside
GD150629
Name:
(6-{[6-(5,5-dimethyloxolan-2-yl)-10-hydroxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-11-en-16-yl]oxy}-4-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxidanesulfonic acidFormula:
C41H64O16SSmiles:
CC1OC(OC2C(OC3CCC4(C)C5=CC(O)C67C(=O)OC(C)(C8CCC(C)(C)O8)C6CCC7(C)C5CCC4C3(C)C)OCC(OS(=O)(=O)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)O1.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 845.01 | Num_heavy_atoms: | 58 |
| TPSA: | 237.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
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 |
