Glycoside
...
GD141376

Name:
3-[(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:
C42H46O11N4

Smiles:
O=C(O)C1C(CC23CCCCC2CNc2ccccc23)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(CC23CCCCC2CNc2ccccc23)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: 15 RingCount: 8
HBD: 9 FractionCSP3: 0.4
AlogP: 3.13 Num_rotatable_bonds: 10
MolWt: 782.85 Num_heavy_atoms: 57
TPSA: 238.16 NumAromaticRings: 4

Unique Aglycone
AD45517
Formula: C36H36O6N4

Smiles:
O=C(O)C1C(CC23CCCCC2CNc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.31
AlogP: 5.66 Num_rotatable_bonds: 7
MolWt: 620.71 Num_heavy_atoms: 46
TPSA: 159.01 NumAromaticRings: 4

Sugarmoiety
SD00003

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