Glycoside
GD012257
Name:
2-{[11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-docosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O8Smiles:
C[C@@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(CO)CC[C@]1(C)OAglycone:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)CCC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 622.88 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD09258
Formula: C30H52O3
Smiles:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)CCC1(C)O| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
