Glycoside
...
GD141634

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7,8-dihydroxy-4-[3-(4-hydroxy-3-{[4-(3-oxopropyl)-1H-imidazol-5-yl]methyl}phenyl)prop-2-enoyl]-1-[5-hydroxy-4-(hydroxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C63H74O17N6

Smiles:
N=C(NCCCC(O)CCC1=CC2(C(=O)O)C(c3c(cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)c3O)N2C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCC=O)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1

Aglycone:
N=C(NCCCC(O)CCC1=CC2(C(=O)O)C(c3c(cc(O)c(O)c3O)N2C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCC=O)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 16 FractionCSP3: 0.44
AlogP: 3.5 Num_rotatable_bonds: 22
MolWt: 1187.31 Num_heavy_atoms: 86
TPSA: 392.26 NumAromaticRings: 5

Unique Aglycone
AD57046
Formula: C57H64O11N6

Smiles:
N=C(NCCCC(O)CCC1=CC2(C(=O)O)C(c3c(cc(O)c(O)c3O)N2C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCC=O)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1
HBA: 17 RingCount: 9
HBD: 12 FractionCSP3: 0.39
AlogP: 6.71 Num_rotatable_bonds: 19
MolWt: 1009.17 Num_heavy_atoms: 74
TPSA: 292.88 NumAromaticRings: 5

Sugarmoiety
SD00999

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