Glycoside
GD106967
Name:
NoneFormula:
C31H44O10NSmiles:
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c5c4[C@@]3(CC[NH2+]1)[C@H]2O5Aglycone:
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CC[NH2+]1)C2O5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.69 | Num_heavy_atoms: | 42 |
| TPSA: | 171.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD44250
Formula: C25H36O4N
Smiles:
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CC[NH2+]1)C2O5| HBA: | 5 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.57 | Num_heavy_atoms: | 30 |
| TPSA: | 75.53 | NumAromaticRings: | 1 |
