Glycoside

GD001110
Name:
NoneFormula:
C42H64O11N6Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cc(-c4ccccn4)nn3)C(=O)O[C@]12CAglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cc(-c4ccccn4)nn3)C(=O)OC12CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.74 |
AlogP: | 3.3 | Num_rotatable_bonds: | 11 |
MolWt: | 829.0 | Num_heavy_atoms: | 59 |
TPSA: | 204.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD01156
Formula: C34H49O8N5
Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cc(-c4ccccn4)nn3)C(=O)OC12CHBA: | 13 | RingCount: | 4 |
HBD: | 1 | FractionCSP3: | 0.68 |
AlogP: | 3.87 | Num_rotatable_bonds: | 8 |
MolWt: | 655.79 | Num_heavy_atoms: | 47 |
TPSA: | 163.04 | NumAromaticRings: | 2 |