Glycoside
GD031496
Name:
NoneFormula:
C38H57O14N3Smiles:
C[C@@]12CC[C@H](n3cc(CO[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12OAglycone:
CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 779.88 | Num_heavy_atoms: | 55 |
| TPSA: | 255.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD17763
Formula: C26H37O4N3
Smiles:
CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 455.6 | Num_heavy_atoms: | 33 |
| TPSA: | 97.47 | NumAromaticRings: | 1 |
