Glycoside
GD132615
Name:
6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-5-(ethylamino)-2-(hydroxymethyl)oxane-3,4-diolFormula:
C25H49O14N5Smiles:
CCNC1C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)OC(CO)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CCNC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -8.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 643.69 | Num_heavy_atoms: | 44 |
| TPSA: | 333.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
