Glycoside
GD127618
Name:
3,5-dihydroxy-6-methyl-4-[(3-methylbutanoyl)oxy]oxan-2-yl 9-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-10-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylateFormula:
C51H82O17Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(C)C(O)C(OC(=O)CC(C)C)C3O)CCC3(C)C(CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12.CC(C)CC(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 967.2 | Num_heavy_atoms: | 68 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD20184
Formula: C30H48O4
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
