Glycoside
...
GD132879

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

Formula:
C44H50O12N4

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC34CCCCC3CNc3ccccc34)C2C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34CCCCC3CNc3ccccc34)C2C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.43
AlogP: 3.01 Num_rotatable_bonds: 11
MolWt: 826.9 Num_heavy_atoms: 60
TPSA: 258.39 NumAromaticRings: 4

Unique Aglycone
AD53797
Formula: C38H40O6N4

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34CCCCC3CNc3ccccc34)C2C(=O)O)ccc1O
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.34
AlogP: 6.22 Num_rotatable_bonds: 8
MolWt: 648.76 Num_heavy_atoms: 48
TPSA: 159.01 NumAromaticRings: 4

Sugarmoiety
SD00999

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