Glycoside
GD140995
Name:
3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,â·]dodecan]-5'-en-4'-oneFormula:
C21H30O11Smiles:
CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=OAglycone:
CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 178.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD50224
Formula: C15H20O6
Smiles:
CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
