Glycoside
GD138476
Name:
2-{[9a,11a-dimethyl-1-(6-methylhept-3-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C32H54O5Smiles:
CC(C)CC=CC(C)C1CCC2C3CCC4CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CC=CC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.78 | Num_heavy_atoms: | 37 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD55891
Formula: C27H46O
Smiles:
CC(C)CC=CC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.66 | Num_heavy_atoms: | 28 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
