Glycoside
...
GD140663

Name:
2-[2-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-3-(hydroxymethyl)-6-[({5-[(methylamino)methyl]-1H-indol-3-yl}methoxy)methyl]oxan-2-yl]oxy}naphthalen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-one

Formula:
C44H49O11N3

Smiles:
CNCc1ccc2[nH]cc(COCC3OC(Oc4cc(OC)cc5cc(C6CCCC6)c(C(=O)CN6Cc7ccccc7C6=O)c(O)c45)C(O)(CO)C(O)C3O)c2c1

Aglycone:
CNCc1ccc2[nH]cc(COC)c2c1.COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1

Sugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 7 FractionCSP3: 0.41
AlogP: 4.02 Num_rotatable_bonds: 14
MolWt: 795.89 Num_heavy_atoms: 58
TPSA: 203.27 NumAromaticRings: 5

Unique Aglycone
AD53530
Formula: C26H25O5N

Smiles:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.31
AlogP: 4.76 Num_rotatable_bonds: 5
MolWt: 431.49 Num_heavy_atoms: 32
TPSA: 87.07 NumAromaticRings: 3
AD56712
Formula: C12H16ON2

Smiles:
CNCc1ccc2[nH]cc(COC)c2c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 2.03 Num_rotatable_bonds: 4
MolWt: 204.27 Num_heavy_atoms: 15
TPSA: 37.05 NumAromaticRings: 2

Sugarmoiety
SD04892

OCC1(O)C(O)OC(O)C(O)C1O