Glycoside
GD155775
Name:
(5-{[3,4-dihydroxy-6-methyl-5-(sulfooxy)oxan-2-yl]oxy}-9a,11a-dimethyl-1-(6-methyl-4-oxohept-5-en-2-ylidene)-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxidanesulfonic acidFormula:
C33H50O13S2Smiles:
CC(C)=CC(=O)CC(C)=C1CCC2C3CC(OC4OC(C)C(OS(=O)(=O)O)C(O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CAglycone:
CC(C)=CC(=O)CC(C)=C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C.O=S(=O)(O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 718.88 | Num_heavy_atoms: | 48 |
| TPSA: | 203.19 | 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 |
AD60583
Formula: C27H40O6S
Smiles:
CC(C)=CC(=O)CC(C)=C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.68 | Num_heavy_atoms: | 34 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
