Glycoside
GD019721
Name:
2-(1-{3a-hydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H68O17Smiles:
COC1C(O)C(O[C@@H]2CC[C@]3(C)C(CC[C@@H]4[C@H]3CC[C@]3(C)[C@H](C(C)OC5OC(CO)C(O)C(O)C5O)CC[C@]43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 820.97 | Num_heavy_atoms: | 57 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD10161
Formula: C21H36O3
Smiles:
CC(O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.52 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
