Glycoside
...
GD143830

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

Formula:
C70H103O25N

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)OC(=O)c5cccnc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 26 RingCount: 11
HBD: 7 FractionCSP3: 0.79
AlogP: 4.19 Num_rotatable_bonds: 21
MolWt: 1358.58 Num_heavy_atoms: 96
TPSA: 336.32 NumAromaticRings: 2

Unique Aglycone
AD48320
Formula: C36H45O8N

Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)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
SD02452

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1