Glycoside
...
GD153802

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

Formula:
C52H62O14N6

Smiles:
N=C(N)NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(OC4(O)OC(CO)C(O)C(O)C4O)cc3N2C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C12CCCCC1CCc1cccc(O)c12

Aglycone:
N=C(N)NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(O)cc3N2C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C12CCCCC1CCc1cccc(O)c12

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 15 FractionCSP3: 0.46
AlogP: 2.62 Num_rotatable_bonds: 16
MolWt: 995.1 Num_heavy_atoms: 72
TPSA: 348.72 NumAromaticRings: 4

Unique Aglycone
AD61140
Formula: C46H52O8N6

Smiles:
N=C(N)NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(O)cc3N2C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C12CCCCC1CCc1cccc(O)c12
HBA: 14 RingCount: 8
HBD: 11 FractionCSP3: 0.39
AlogP: 5.82 Num_rotatable_bonds: 13
MolWt: 816.96 Num_heavy_atoms: 60
TPSA: 249.34 NumAromaticRings: 4

Sugarmoiety
SD00999

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