Glycoside

GD103397
Name:
NoneFormula:
C22H31O10N3Smiles:
CCCCC(=O)[C@H](C)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=OAglycone:
CCCCC(=O)C(C)Nc1c[nH]c(=O)[nH]c1=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 13 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.64 |
AlogP: | 0.42 | Num_rotatable_bonds: | 11 |
MolWt: | 497.5 | Num_heavy_atoms: | 35 |
TPSA: | 172.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD43766
Formula: C11H17O3N3
Smiles:
CCCCC(=O)C(C)Nc1c[nH]c(=O)[nH]c1=OHBA: | 6 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.55 |
AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
MolWt: | 239.28 | Num_heavy_atoms: | 17 |
TPSA: | 94.82 | NumAromaticRings: | 1 |