Glycoside
...
GD129273

Name:
2-{4-[1-({[amino(benzylamino)methylidene]amino}methyl)cyclopentyl]-3-hydroxybutyl}-7,8-dihydroxy-4-[3-(4-hydroxy-3-{[4-(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:
C67H80O17N6

Smiles:
N=C(NCc1ccccc1)NCC1(CC(O)CCC2=CC3(C(=O)O)C(c4c(cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)c4O)N3C(=O)C=Cc3ccc(O)c(Cc4[nH]cnc4CCC=O)c3)C2C23c4c(O)cccc4CCC2CCCC3CO)CCCC1

Aglycone:
N=C(NCc1ccccc1)NCC1(CC(O)CCC2=CC3(C(=O)O)C(c4c(cc(O)c(O)c4O)N3C(=O)C=Cc3ccc(O)c(Cc4[nH]cnc4CCC=O)c3)C2C23c4c(O)cccc4CCC2CCCC3CO)CCCC1

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

Other Identifiers

Properties
HBA: 23 RingCount: 11
HBD: 16 FractionCSP3: 0.48
AlogP: 4.67 Num_rotatable_bonds: 22
MolWt: 1241.4 Num_heavy_atoms: 90
TPSA: 392.26 NumAromaticRings: 5

Unique Aglycone
AD52372
Formula: C61H70O11N6

Smiles:
N=C(NCc1ccccc1)NCC1(CC(O)CCC2=CC3(C(=O)O)C(c4c(cc(O)c(O)c4O)N3C(=O)C=Cc3ccc(O)c(Cc4[nH]cnc4CCC=O)c3)C2C23c4c(O)cccc4CCC2CCCC3CO)CCCC1
HBA: 17 RingCount: 10
HBD: 12 FractionCSP3: 0.43
AlogP: 7.88 Num_rotatable_bonds: 19
MolWt: 1063.26 Num_heavy_atoms: 78
TPSA: 292.88 NumAromaticRings: 5

Sugarmoiety
SD00999

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