Glycoside
...
GD120145

Name:
3-({1-amino-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-9b-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(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 11 FractionCSP3: 0.43
AlogP: 2.08 Num_rotatable_bonds: 11
MolWt: 826.9 Num_heavy_atoms: 60
TPSA: 272.38 NumAromaticRings: 4

Unique Aglycone
AD48229
Formula: C38H40O6N4

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1O
HBA: 10 RingCount: 7
HBD: 7 FractionCSP3: 0.34
AlogP: 5.29 Num_rotatable_bonds: 8
MolWt: 648.76 Num_heavy_atoms: 48
TPSA: 173.0 NumAromaticRings: 4

Sugarmoiety
SD00999

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