Glycoside

GD143159
Name:
4-amino-N-[5-amino-4-({3-[(4-amino-1,2-dihydroxybutylidene)amino]-6-(aminomethyl)oxan-2-yl}oxy)-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanimidic acidFormula:
C26H51O12N7Smiles:
NCCC(O)C(O)=NC1CCC(CN)OC1OC1C(N)CC(N=C(O)C(O)CCN)C(OC2OC(CO)C(O)C(N)C2O)C1OAglycone:
NCCC(O)C(O)=NC1CCC(CN)OC1OC1C(N)CC(N=C(O)C(O)CCN)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 3 |
HBD: | 18 | FractionCSP3: | 0.92 |
AlogP: | -5.85 | Num_rotatable_bonds: | 14 |
MolWt: | 653.73 | Num_heavy_atoms: | 45 |
TPSA: | 353.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD57586
Formula: C20H40O8N6
Smiles:
NCCC(O)C(O)=NC1CCC(CN)OC1OC1C(N)CC(N=C(O)C(O)CCN)C(O)C1OHBA: | 14 | RingCount: | 2 |
HBD: | 14 | FractionCSP3: | 0.9 |
AlogP: | -3.64 | Num_rotatable_bonds: | 11 |
MolWt: | 492.57 | Num_heavy_atoms: | 34 |
TPSA: | 268.64 | NumAromaticRings: | 0 |