Glycoside
GD125080
Name:
2-(hydroxymethyl)-6-{[3,9,13-trihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-4-yl]oxy}oxane-3,4,5-triolFormula:
C36H62O10Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2C3(C)CCC(O)(C(C)(C)O)C3C(OC3OC(CO)C(O)C(O)C3O)CC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2C3(C)CCC(O)(C(C)(C)O)C3C(O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD50578
Formula: C30H52O5
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2C3(C)CCC(O)(C(C)(C)O)C3C(O)CC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
