Glycoside
...
GD154759

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7,8-dihydroxy-4-{3-[4-hydroxy-3-({4-[2-(hydroxymethyl)-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:
C64H76O18N6

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]cnc3CC(C=O)CO)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]cnc3CC(C=O)CO)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 17 FractionCSP3: 0.45
AlogP: 2.72 Num_rotatable_bonds: 23
MolWt: 1217.34 Num_heavy_atoms: 88
TPSA: 412.49 NumAromaticRings: 5

Unique Aglycone
AD61439
Formula: C58H66O12N6

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]cnc3CC(C=O)CO)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1
HBA: 18 RingCount: 9
HBD: 13 FractionCSP3: 0.4
AlogP: 5.93 Num_rotatable_bonds: 20
MolWt: 1039.2 Num_heavy_atoms: 76
TPSA: 313.11 NumAromaticRings: 5

Sugarmoiety
SD00999

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