Glycoside
GD001788
Name:
NEOCIMICIGENOSIDE AFormula:
C37H58O10Smiles:
CC(=O)O[C@@H]1[C@@H]2C[C@H](C)[C@@H]3[C@](O2)(OC1(C)C)[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]25CC[C@]31CAglycone:
CC(=O)OC1C2CC(C)C3C(O2)(OC1(C)C)C(O)C1(C)C2CCC4C(C)(C)C(O)CCC45CC25CCC31CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01753
Formula: C32H50O6
Smiles:
CC(=O)OC1C2CC(C)C3C(O2)(OC1(C)C)C(O)C1(C)C2CCC4C(C)(C)C(O)CCC45CC25CCC31C| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
