Glycoside
...
GD152691

Name:
8-(4-{[amino(benzylamino)methylidene]amino}-1-hydroxybutyl)-1,2-dihydroxy-5-[3-(4-hydroxy-3-{[4-(3-oxopropyl)-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:
C65H74O17N6

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]cnc3CCC=O)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]cnc3CCC=O)c2)C1)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 23 RingCount: 11
HBD: 16 FractionCSP3: 0.43
AlogP: 3.67 Num_rotatable_bonds: 20
MolWt: 1211.33 Num_heavy_atoms: 88
TPSA: 392.26 NumAromaticRings: 5

Unique Aglycone
AD60774
Formula: C59H64O11N6

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]cnc3CCC=O)c2)C1)NCc1ccccc1
HBA: 17 RingCount: 10
HBD: 12 FractionCSP3: 0.37
AlogP: 6.88 Num_rotatable_bonds: 17
MolWt: 1033.19 Num_heavy_atoms: 76
TPSA: 292.88 NumAromaticRings: 5

Sugarmoiety
SD00999

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