Glycoside
GD135974
Name:
6-{7,10-dihydroxy-11-methyl-5H,6H,6aH,7H,8H,9H,10H,11H,12H,13H,13aH-cyclonona[a]naphthalen-3-yl}-2-[(4-hydroxy-2,4-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-3,4-dihydro-2H-pyran-4-oneFormula:
C36H52O13Smiles:
CC1CCC2c3ccc(C4=CC(=O)CC(OC5C(C)OC(OC6OC(CO)C(O)C(O)C6O)CC5(C)O)O4)cc3CCC2C(O)CCC1OAglycone:
CC1CCC2c3ccc(C4=CC(=O)CC(O)O4)cc3CCC2C(O)CCC1OSugarmoiety:
CC1OC(OC2OC(CO)C(O)C(O)C2O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 692.8 | Num_heavy_atoms: | 49 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD54970
Formula: C23H30O5
Smiles:
CC1CCC2c3ccc(C4=CC(=O)CC(O)O4)cc3CCC2C(O)CCC1O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
