Glycoside
GD157678
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-amino-6-(3,6-diaminohexanamido)hexanamido]hexanamido}hexanamido)hexanoateFormula:
C45H87O17N15Smiles:
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=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)CCCN=C(O)CC(N)CCCNSugarmoiety:
N=C(N)NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 2 |
| HBD: | 29 | FractionCSP3: | 0.82 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 36 |
| MolWt: | 1110.28 | Num_heavy_atoms: | 77 |
| TPSA: | 600.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD62318
Formula: C38H74O13N12
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=C(O)CC(N)CCCN| HBA: | 25 | RingCount: | 1 |
| HBD: | 23 | FractionCSP3: | 0.82 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 32 |
| MolWt: | 907.08 | Num_heavy_atoms: | 63 |
| TPSA: | 480.09 | NumAromaticRings: | 0 |
