Glycoside

GD022906
Name:
NoneFormula:
C20H30O5N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC4CC(C)(C)N([O])C4(C)C)ncnc32)[C@H](O)[C@H]1OAglycone:
CC1(C)CC(CNc2ncnc3c2N=C[N]3)C(C)(C)N1OSugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.7 |
AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
MolWt: | 448.5 | Num_heavy_atoms: | 32 |
TPSA: | 157.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD04710
Formula: C14H21ON6
Smiles:
CC1(C)CC(CNc2ncnc3c2N=C[N]3)C(C)(C)N1OHBA: | 7 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.64 |
AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
MolWt: | 289.36 | Num_heavy_atoms: | 21 |
TPSA: | 87.74 | NumAromaticRings: | 1 |