Glycoside
GD115884
Name:
{4,5-dihydroxy-6-[(2-methyl-6-{3,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-4-en-3-yl)oxy]oxan-3-yl}oxidanesulfonic acidFormula:
C32H54O11SSmiles:
CC(C)C(C=CC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)OC1OCC(OS(=O)(=O)O)C(O)C1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C.O=S(=O)(O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.84 | Num_heavy_atoms: | 44 |
| TPSA: | 183.21 | 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 |
AD45922
Formula: C27H46O4
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
