Glycoside
GD156242
Name:
(6-{[5,10-dihydroxy-6-(4-hydroxy-4-methylpent-2-en-1-yl)-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:
C41H64O17SSmiles:
CC1OC(OC2C(OC3CCC4(C)C5=CC(O)C67C(=O)OC(C)(CC=CC(C)(C)O)C6(O)CCC7(C)C5CCC4C3(C)C)OCC(OS(=O)(=O)O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 861.01 | Num_heavy_atoms: | 59 |
| TPSA: | 268.43 | 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 |
AD52429
Formula: C30H46O6
Smiles:
CC(C)(O)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
