Glycoside
...
GD149770

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7,8-dihydroxy-4-{3-[4-hydroxy-3-(4-{[(1H-pyrrol-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl)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:
C68H80O16N8

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(C3CCC(CNc4ccc[nH]4)c4nc[nH]c43)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(C3CCC(CNc4ccc[nH]4)c4nc[nH]c43)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 24 RingCount: 12
HBD: 18 FractionCSP3: 0.44
AlogP: 5.23 Num_rotatable_bonds: 21
MolWt: 1265.43 Num_heavy_atoms: 92
TPSA: 403.01 NumAromaticRings: 6

Unique Aglycone
AD59873
Formula: C62H70O10N8

Smiles:
N=C(NCCCC(O)CCC1=CC2(C(=O)O)C(c3c(cc(O)c(O)c3O)N2C(=O)C=Cc2ccc(O)c(C3CCC(CNc4ccc[nH]4)c4nc[nH]c43)c2)C1C12c3c(O)cccc3CCC1CCCC2CO)NCc1ccccc1
HBA: 18 RingCount: 11
HBD: 14 FractionCSP3: 0.39
AlogP: 8.44 Num_rotatable_bonds: 18
MolWt: 1087.29 Num_heavy_atoms: 80
TPSA: 303.63 NumAromaticRings: 6

Sugarmoiety
SD00999

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