Glycoside
GD006596
Name:
MINUTOSIDE AFormula:
C32H53O12SSmiles:
CC(C)[C@H](C=C[C@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(O)C[C@H](O)[C@@H]2C[C@H](OS(=O)(=O)[O-])CC[C@]21C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)[O-])CC3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 661.83 | Num_heavy_atoms: | 45 |
| TPSA: | 206.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD05446
Formula: C27H45O8S
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)[O-])CC3C(O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 529.72 | Num_heavy_atoms: | 36 |
| TPSA: | 147.35 | NumAromaticRings: | 0 |
