Glycoside

GD139400
Name:
mfth2-mmft-2Formula:
C39H61O23NSmiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(Oc5ccc(CC6NC(O)=C(O)C6(C)C)cc5)C(O)C4O)C(OC)C3O)C(O)C2O)C(O)C1OAglycone:
CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1Sugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(OC)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 24 | RingCount: | 6 |
HBD: | 14 | FractionCSP3: | 0.79 |
AlogP: | -5.53 | Num_rotatable_bonds: | 16 |
MolWt: | 911.9 | Num_heavy_atoms: | 63 |
TPSA: | 367.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD45068
Formula: C13H17O3N
Smiles:
CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1HBA: | 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 |