Glycoside
GD148589
Name:
4'b,8',8',10'a-tetramethyl-2'-(7-methyl-3-oxoocta-4,6-dien-2-yl)-7'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-5-oneFormula:
C42H66O13Smiles:
CC(C)=CC=CC(=O)C(C)C1CCC2C3(C)CCC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2Aglycone:
CC(C)=CC=CC(=O)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 778.98 | Num_heavy_atoms: | 55 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD59452
Formula: C30H46O4
Smiles:
CC(C)=CC=CC(=O)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
