Glycoside

GD141909
Name:
gahdp-mmft-8Formula:
C77H125O53N3Smiles:
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)C1OAglycone:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CNSugarmoiety:
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)C1OOther 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)CNHBA: | 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