Glycoside
...
GD151551

Name:
None

Formula:
C60H59O22N7Cl2

Smiles:
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)C

Aglycone:
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)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other 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)C
HBA: 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

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O