Glycoside
...
GD155212

Name:
10-(2-amino-1-phenylcyclopentyl)-2,3,8-trihydroxy-5-(3-{4-hydroxy-3-[5-(hydroxymethyl)-4-{[(1H-pyrrol-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl]phenyl}prop-2-enoyl)-7-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,4bH,5H,9bH,10H-indeno[1,2-b]indole-4b-carboxylic acid

Formula:
C55H62O15N6

Smiles:
NC1CCCC1(c1ccccc1)C1C2=C(CC(O)C(O)C2)C2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1

Aglycone:
NC1CCCC1(c1ccccc1)C1C2=C(CC(O)C(O)C2)C2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1

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

Other Identifiers

Properties
HBA: 21 RingCount: 11
HBD: 16 FractionCSP3: 0.44
AlogP: 1.85 Num_rotatable_bonds: 13
MolWt: 1047.13 Num_heavy_atoms: 76
TPSA: 360.89 NumAromaticRings: 5

Unique Aglycone
AD61579
Formula: C49H52O9N6

Smiles:
NC1CCCC1(c1ccccc1)C1C2=C(CC(O)C(O)C2)C2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1
HBA: 15 RingCount: 10
HBD: 12 FractionCSP3: 0.37
AlogP: 5.05 Num_rotatable_bonds: 10
MolWt: 868.99 Num_heavy_atoms: 64
TPSA: 261.51 NumAromaticRings: 5

Sugarmoiety
SD00999

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