Glycoside

GD151551
Name:
NoneFormula:
C60H59O22N7Cl2Smiles:
CC(C(O)=NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2O)C2N=C(O)C(N=C(O)C3N=C(O)C(CCC(=O)O)N=C1O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C2O)N(C)CAglycone:
CC(C(O)=NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2N=C(O)C(N=C(O)C3N=C(O)C(CCC(=O)O)N=C1O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C2O)N(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 29 | RingCount: | 11 |
HBD: | 16 | FractionCSP3: | 0.34 |
AlogP: | 6.08 | Num_rotatable_bonds: | 10 |
MolWt: | 1277.04 | Num_heavy_atoms: | 89 |
TPSA: | 472.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD60429
Formula: C54H49O17N7Cl2
Smiles:
CC(C(O)=NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2N=C(O)C(N=C(O)C3N=C(O)C(CCC(=O)O)N=C1O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C2O)N(C)CHBA: | 24 | RingCount: | 10 |
HBD: | 13 | FractionCSP3: | 0.27 |
AlogP: | 8.25 | Num_rotatable_bonds: | 7 |
MolWt: | 1114.9 | Num_heavy_atoms: | 78 |
TPSA: | 392.99 | NumAromaticRings: | 5 |