Glycoside
...
GD153218

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7-hydroxy-4-(3-{4-hydroxy-3-[(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:
C60H70O15N6

Smiles:
N=C(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)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1

Aglycone:
N=C(NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(O)cc3N2C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 15 FractionCSP3: 0.43
AlogP: 3.67 Num_rotatable_bonds: 19
MolWt: 1115.25 Num_heavy_atoms: 81
TPSA: 354.96 NumAromaticRings: 5

Unique Aglycone
AD60955
Formula: C54H60O9N6

Smiles:
N=C(NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(O)cc3N2C(=O)C=Cc2ccc(O)c(Cc3cnc[nH]3)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1
HBA: 15 RingCount: 9
HBD: 11 FractionCSP3: 0.37
AlogP: 6.87 Num_rotatable_bonds: 16
MolWt: 937.11 Num_heavy_atoms: 69
TPSA: 255.58 NumAromaticRings: 5

Sugarmoiety
SD00999

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