Glycoside
GD138330
Name:
8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-9-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acidFormula:
C35H56O9Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01049
Formula: C30H48O4
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
