Glycoside
GD139608
Name:
3-{[4-carbamimidamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6-bis(carbamoyloxy)-4,5-dihydroxycyclohexyl 3-amino-6-{3-amino-6-[3-amino-6-(3,6-diaminohexanamido)hexanamido]hexanamido}hexanoateFormula:
C39H75O16N13Smiles:
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=C(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)CCCN=C(O)CC(N)CCCN=C(O)CC(N)CCCNSugarmoiety:
N=C(N)NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 2 |
| HBD: | 26 | FractionCSP3: | 0.82 |
| AlogP: | -4.12 | Num_rotatable_bonds: | 30 |
| MolWt: | 982.1 | Num_heavy_atoms: | 68 |
| TPSA: | 542.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD56296
Formula: C32H62O12N10
Smiles:
N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1OC(=O)CC(N)CCCN=C(O)CC(N)CCCN=C(O)CC(N)CCCN=C(O)CC(N)CCCN| HBA: | 22 | RingCount: | 1 |
| HBD: | 20 | FractionCSP3: | 0.81 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 26 |
| MolWt: | 778.91 | Num_heavy_atoms: | 54 |
| TPSA: | 421.48 | NumAromaticRings: | 0 |
