Glycoside
GD107788
Name:
NoneFormula:
C35H50O10NSmiles:
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[N@H+]1CC1CC1)[C@H]2O5Aglycone:
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CC[NH+]1CC1CC1)C2O5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.78 | Num_heavy_atoms: | 46 |
| TPSA: | 159.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD44344
Formula: C29H42O4N
Smiles:
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CC[NH+]1CC1CC1)C2O5| HBA: | 5 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.66 | Num_heavy_atoms: | 34 |
| TPSA: | 63.36 | NumAromaticRings: | 1 |
