Glycoside
GD142720
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-(3,6-diaminohexanamido)hexanamido]hexanoateFormula:
C33H63O15N11Smiles:
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)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)CCCNSugarmoiety:
N=C(N)NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 2 |
| HBD: | 23 | FractionCSP3: | 0.82 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 24 |
| MolWt: | 853.93 | Num_heavy_atoms: | 59 |
| TPSA: | 483.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD57429
Formula: C26H50O11N8
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| HBA: | 19 | RingCount: | 1 |
| HBD: | 17 | FractionCSP3: | 0.81 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 20 |
| MolWt: | 650.73 | Num_heavy_atoms: | 45 |
| TPSA: | 362.87 | NumAromaticRings: | 0 |
