Glycoside
GD157055
Name:
2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-[(hexadecyloxy)methyl]oxane-3,4,5-triolFormula:
C51H90O6Smiles:
CCCCCCCCCCCCCCCCOCC1OC(OC2CCC3(C)C(CC=C4C3CCC3(C)C4CCC3C(C)C=CC(CC)C(C)C)C2)C(O)C(O)C1OAglycone:
CCC(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C.CCCCCCCCCCCCCCCCOCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 12.13 | Num_rotatable_bonds: | 24 |
| MolWt: | 799.28 | Num_heavy_atoms: | 57 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD01386
Formula: C17H36O
Smiles:
CCCCCCCCCCCCCCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 256.47 | Num_heavy_atoms: | 18 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD45697
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
