Glycoside
...
GD148620

Name:
gahdp-mmft-3

Formula:
C47H75O28N3

Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(Oc6ccc(CC7N=C(O)C(N=C(O)CN)C7(C)C)cc6)C(O)C5O)C(OC)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(O)C(O)C5O)C(OC)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 7
HBD: 18 FractionCSP3: 0.83
AlogP: -8.34 Num_rotatable_bonds: 21
MolWt: 1130.11 Num_heavy_atoms: 78
TPSA: 485.18 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
SD05368

COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(OC)C4O)C(O)C3O)C(O)C2O)C(O)C1O