Glycoside
GD150794
Name:
RistocetinFormula:
C95H110O44N8Smiles:
COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc21Aglycone:
COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 52 | RingCount: | 19 |
| HBD: | 31 | FractionCSP3: | 0.48 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 16 |
| MolWt: | 2067.94 | Num_heavy_atoms: | 147 |
| TPSA: | 837.16 | NumAromaticRings: | 7 |
Unique Aglycone
AD51734
Formula: C66H62O21N8
Smiles:
COC(=O)C1N=C(O)C2N=C(O)C(N=C(O)C3N=C(O)C4N=C(O)C(N=C(O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21| HBA: | 29 | RingCount: | 14 |
| HBD: | 18 | FractionCSP3: | 0.26 |
| AlogP: | 8.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 1303.26 | Num_heavy_atoms: | 95 |
| TPSA: | 481.87 | NumAromaticRings: | 7 |
Sugarmoiety
SD01878
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O