Glycoside
GD128162
Name:
2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-5a-hydroxy-9a,11a-dimethyl-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C34H54O6Smiles:
CCC(C=CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(OC2OCC(O)C(O)C2O)CC1(O)CC3)C(C)CAglycone:
CCC(C=CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)CC1(O)CC3)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 5.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD51916
Formula: C29H46O2
Smiles:
CCC(C=CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)CC1(O)CC3)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.69 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
