Glycoside
GD122880
Name:
3-{[4-carbamimidamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6-bis(carbamoyloxy)-4,5-dihydroxycyclohexyl 3-amino-6-(3,6-diaminohexanamido)hexanoateFormula:
C27H51O14N9Smiles:
N=C(N)NC1C(O)C(CO)OC(OC2C(O)C(O)C(OC(=N)O)C(OC(=O)CC(N)CCCN=C(O)CC(N)CCCN)C2OC(=N)O)C1OAglycone:
N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1OC(=O)CC(N)CCCN=C(O)CC(N)CCCNSugarmoiety:
N=C(N)NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 20 | FractionCSP3: | 0.81 |
| AlogP: | -5.02 | Num_rotatable_bonds: | 18 |
| MolWt: | 725.75 | Num_heavy_atoms: | 50 |
| TPSA: | 425.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD49558
Formula: C20H38O10N6
Smiles:
N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1OC(=O)CC(N)CCCN=C(O)CC(N)CCCN| HBA: | 16 | RingCount: | 1 |
| HBD: | 14 | FractionCSP3: | 0.8 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 14 |
| MolWt: | 522.56 | Num_heavy_atoms: | 36 |
| TPSA: | 304.26 | NumAromaticRings: | 0 |
