Glycoside
...
GD155762

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7,8-dihydroxy-1-[5-hydroxy-3,4-bis(hydroxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl]-4-(3-{4-hydroxy-3-[(4-{2-[(1H-pyrrol-2-yl)amino]ethyl}-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:
C67H80O17N8

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]cnc3CCNc3ccc[nH]3)c2)C1C12c3c(O)cccc3CCC1CCC(CO)C2CO)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]cnc3CCNc3ccc[nH]3)c2)C1C12c3c(O)cccc3CCC1CCC(CO)C2CO)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 25 RingCount: 11
HBD: 19 FractionCSP3: 0.43
AlogP: 3.57 Num_rotatable_bonds: 24
MolWt: 1269.42 Num_heavy_atoms: 92
TPSA: 423.24 NumAromaticRings: 6

Unique Aglycone
AD61746
Formula: C61H70O11N8

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]cnc3CCNc3ccc[nH]3)c2)C1C12c3c(O)cccc3CCC1CCC(CO)C2CO)NCc1ccccc1
HBA: 19 RingCount: 10
HBD: 15 FractionCSP3: 0.38
AlogP: 6.78 Num_rotatable_bonds: 21
MolWt: 1091.28 Num_heavy_atoms: 80
TPSA: 323.86 NumAromaticRings: 6

Sugarmoiety
SD00999

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