Glycoside
GD121426
Name:
[6-({1-[7-(acetyloxy)-6-methylheptan-2-yl]-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C37H62O11Smiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(OC4OC(COC(C)=O)C(O)C(O)C4O)CC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.89 | Num_heavy_atoms: | 48 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48877
Formula: C29H50O5
Smiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.71 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
