Glycoside
...
GD134450

Name:
methyl 6,8-dimethoxy-2-(4-methoxyphenyl)-4-{[4-(2-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enamido)butyl]carbamoyl}-5-oxo-3-phenyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate

Formula:
C43H52O15N2

Smiles:
COC(=O)C1(c2ccc(OC)cc2)Oc2cc(OC)cc(OC)c2C(=O)C(C(O)=NCCCCN=C(O)C(C)=CCOC2OC(CO)C(O)C(O)C2O)C1c1ccccc1

Aglycone:
COC(=O)C1(c2ccc(OC)cc2)Oc2cc(OC)cc(OC)c2C(=O)C(C(O)=NCCCCN=C(O)C(C)=CCO)C1c1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 6 FractionCSP3: 0.44
AlogP: 3.21 Num_rotatable_bonds: 17
MolWt: 836.89 Num_heavy_atoms: 60
TPSA: 244.85 NumAromaticRings: 3

Unique Aglycone
AD54389
Formula: C37H42O10N2

Smiles:
COC(=O)C1(c2ccc(OC)cc2)Oc2cc(OC)cc(OC)c2C(=O)C(C(O)=NCCCCN=C(O)C(C)=CCO)C1c1ccccc1
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.35
AlogP: 5.39 Num_rotatable_bonds: 14
MolWt: 674.75 Num_heavy_atoms: 49
TPSA: 165.7 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O