Glycoside
GD030852
Name:
VeralosineFormula:
C35H55O8NSmiles:
CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]2(C)[C@H]1[C@H](C)C1=NC[C@H](C)CC1Aglycone:
CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 617.82 | Num_heavy_atoms: | 44 |
| TPSA: | 138.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD19950
Formula: C29H45O3N
Smiles:
CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)CC1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 455.68 | Num_heavy_atoms: | 33 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
