Glycoside
...
GD141909

Name:
gahdp-mmft-8

Formula:
C77H125O53N3

Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(Oc%11ccc(CC%12N=C(O)C(N=C(O)CN)C%12(C)C)cc%11)C(O)C%10O)C(OC)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CN

Sugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(O)C(O)C%10O)C(OC)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 56 RingCount: 12
HBD: 33 FractionCSP3: 0.9
AlogP: -19.22 Num_rotatable_bonds: 36
MolWt: 1940.82 Num_heavy_atoms: 133
TPSA: 880.93 NumAromaticRings: 1

Unique Aglycone
AD45135
Formula: C15H21O3N3

Smiles:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CN
HBA: 6 RingCount: 2
HBD: 5 FractionCSP3: 0.47
AlogP: 1.58 Num_rotatable_bonds: 4
MolWt: 291.35 Num_heavy_atoms: 21
TPSA: 111.43 NumAromaticRings: 1

Sugarmoiety
SD08778

COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(O)C(O)C%10O)C(OC)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O