Glycoside
GD152749
Name:
5,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl formateFormula:
C37H62O10Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC=O)C(C)(C)C3C(O)CC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC=O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 666.89 | Num_heavy_atoms: | 47 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD60796
Formula: C31H52O5
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC=O)C(C)(C)C3C(O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.75 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
