Glycoside
GD156152
Name:
7-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-1-[3-hydroxy-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-yl]-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C46H72O17Smiles:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C=O)CCC(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC23C)C(=O)O1Aglycone:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C=O)CCC(O)C(C)(C)C4CCC23C)C(=O)O1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 897.07 | Num_heavy_atoms: | 63 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD61865
Formula: C30H46O5
Smiles:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C=O)CCC(O)C(C)(C)C4CCC23C)C(=O)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
