Glycoside
...
GD140346

Name:
7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1,3a,3b-trihydroxy-9a,11a-dimethyl-1-{1-[(3-phenylprop-2-enoyl)oxy]ethyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl pyridine-3-carboxylate

Formula:
C57H81O18N

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3cccnc3)C3(C)C(O)(C(C)OC(=O)C=Cc5ccccc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 5 FractionCSP3: 0.74
AlogP: 4.8 Num_rotatable_bonds: 15
MolWt: 1068.26 Num_heavy_atoms: 76
TPSA: 249.71 NumAromaticRings: 2

Unique Aglycone
AD56592
Formula: C36H45O8N

Smiles:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.58
AlogP: 4.23 Num_rotatable_bonds: 6
MolWt: 619.76 Num_heavy_atoms: 45
TPSA: 146.41 NumAromaticRings: 2

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1