Glycoside
GD151853
Name:
31-34Formula:
C76H118O35N11ClSmiles:
CC=C1N=C(O)C(C(O)c2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(CCCCCCCCCC(Cl)CCC)OC2OCC(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2O)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)OC2OC(CO)C(O)C(O)C2O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1OAglycone:
CC=C1N=C(O)C(C(O)c2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCC(Cl)CCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1OSugarmoiety:
O=C(O)C1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 46 | RingCount: | 5 |
| HBD: | 27 | FractionCSP3: | 0.72 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 36 |
| MolWt: | 1769.26 | Num_heavy_atoms: | 122 |
| TPSA: | 771.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD60519
Formula: C59H92O20N11Cl
Smiles:
CC=C1N=C(O)C(C(O)c2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCC(Cl)CCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O| HBA: | 31 | RingCount: | 2 |
| HBD: | 19 | FractionCSP3: | 0.66 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 28 |
| MolWt: | 1298.88 | Num_heavy_atoms: | 90 |
| TPSA: | 537.1 | NumAromaticRings: | 1 |
