Glycoside
...
GD128645

Name:
mfth2-mmft-4

Formula:
C51H81O33N

Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(Oc7ccc(CC8NC(O)=C(O)C8(C)C)cc7)C(O)C6O)C(OC)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1

Sugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(OC)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 8
HBD: 20 FractionCSP3: 0.84
AlogP: -9.88 Num_rotatable_bonds: 22
MolWt: 1236.18 Num_heavy_atoms: 85
TPSA: 525.62 NumAromaticRings: 1

Unique Aglycone
AD45068
Formula: C13H17O3N

Smiles:
CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.38
AlogP: 2.22 Num_rotatable_bonds: 2
MolWt: 235.28 Num_heavy_atoms: 17
TPSA: 72.72 NumAromaticRings: 1

Sugarmoiety
SD06966

COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(OC)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O