Glycoside
GD130004
Name:
2-{[3,3b,5-trihydroxy-1-(5-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C32H56O9Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)CC3C(O)CC12OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.79 | Num_heavy_atoms: | 41 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD04465
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
