Glycoside
...
GD144671

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

Formula:
C68H78O16N8

Smiles:
N=C(NCCCC(O)C1C=CC2(C34c5c(O)cccc5CCC3CCCC4CO)C(=CC3(C(=O)O)C2c2c(cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)c2O)N3C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1)NCc1ccccc1

Aglycone:
N=C(NCCCC(O)C1C=CC2(C34c5c(O)cccc5CCC3CCCC4CO)C(=CC3(C(=O)O)C2c2c(cc(O)c(O)c2O)N3C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 24 RingCount: 12
HBD: 18 FractionCSP3: 0.41
AlogP: 4.52 Num_rotatable_bonds: 21
MolWt: 1263.41 Num_heavy_atoms: 92
TPSA: 403.01 NumAromaticRings: 6

Unique Aglycone
AD58119
Formula: C62H68O10N8

Smiles:
N=C(NCCCC(O)C1C=CC2(C34c5c(O)cccc5CCC3CCCC4CO)C(=CC3(C(=O)O)C2c2c(cc(O)c(O)c2O)N3C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1)NCc1ccccc1
HBA: 18 RingCount: 11
HBD: 14 FractionCSP3: 0.35
AlogP: 7.73 Num_rotatable_bonds: 18
MolWt: 1085.27 Num_heavy_atoms: 80
TPSA: 303.63 NumAromaticRings: 6

Sugarmoiety
SD00999

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