Glycoside
GD009457
Name:
NoneFormula:
C40H71O13NSmiles:
C=CCO[C@@]1(C)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1OAglycone:
C=CCOC1(C)CC(C)C(=O)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 774.0 | Num_heavy_atoms: | 54 |
| TPSA: | 182.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07411
Formula: C32H57O10N
Smiles:
C=CCOC1(C)CC(C)C(=O)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 615.81 | Num_heavy_atoms: | 43 |
| TPSA: | 155.22 | NumAromaticRings: | 0 |
