Glycoside
GD157148
Name:
(6-{[1-(5-ethyl-6-methylhepta-3,6-dien-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}-3,4,5-trihydroxyoxan-2-yl)methyl hexadecanoateFormula:
C51H86O7Smiles:
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC(OC5OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C5O)CCC4(C)C3CCC21C)CCAglycone:
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)CC.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 11.58 | Num_rotatable_bonds: | 23 |
| MolWt: | 811.24 | Num_heavy_atoms: | 58 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD61332
Formula: C29H46O
Smiles:
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)CC| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.69 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
