Glycoside
GD138288
Name:
4,5-dihydroxy-2-{[6-hydroxy-1,4,7-trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl]oxy}-6-methyloxan-3-yl acetateFormula:
C28H40O7Smiles:
CC(=O)OC1C(Oc2c(C)c3c4c(c2O)C(C)CCC4C(C)CC3C=C(C)C)OC(C)C(O)C1OAglycone:
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD01472
Formula: C20H28O2
Smiles:
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.44 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
