Glycoside
...
GD141221

Name:
3-{[6a-(hydroxymethyl)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-10a-yl]methyl}-5-hydroxy-1-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C43H48O12N4

Smiles:
O=C(O)C1C(CC23CCCCC2(CO)CNc2ccccc23)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Aglycone:
O=C(O)C1C(CC23CCCCC2(CO)CNc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.42
AlogP: 2.49 Num_rotatable_bonds: 11
MolWt: 812.87 Num_heavy_atoms: 59
TPSA: 258.39 NumAromaticRings: 4

Unique Aglycone
AD56909
Formula: C37H38O7N4

Smiles:
O=C(O)C1C(CC23CCCCC2(CO)CNc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 11 RingCount: 7
HBD: 7 FractionCSP3: 0.32
AlogP: 5.02 Num_rotatable_bonds: 8
MolWt: 650.73 Num_heavy_atoms: 48
TPSA: 179.24 NumAromaticRings: 4

Sugarmoiety
SD00003

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