Glycoside
...
GD138978

Name:
4-(acetyloxy)-1,12-dihydroxy-15-{[2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate

Formula:
C50H57O17N

Smiles:
CC(=O)OC12COC1CC(OC1OCC(O)C(O)C1O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(N=C(O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C

Aglycone:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(N=C(O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 7 FractionCSP3: 0.5
AlogP: 2.2 Num_rotatable_bonds: 11
MolWt: 944.0 Num_heavy_atoms: 68
TPSA: 277.63 NumAromaticRings: 3

Unique Aglycone
AD56061
Formula: C45H49O13N

Smiles:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(N=C(O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C
HBA: 14 RingCount: 7
HBD: 5 FractionCSP3: 0.44
AlogP: 3.74 Num_rotatable_bonds: 9
MolWt: 811.88 Num_heavy_atoms: 59
TPSA: 218.71 NumAromaticRings: 3

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O