Glycoside
...
GD133749

Name:
10-(2-amino-1-phenylcyclopentyl)-2,8-dihydroxy-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:
C55H62O14N6

Smiles:
NC1CCCC1(c1ccccc1)C1C2=C(CCC(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(CCC(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: 20 RingCount: 11
HBD: 15 FractionCSP3: 0.44
AlogP: 2.87 Num_rotatable_bonds: 13
MolWt: 1031.13 Num_heavy_atoms: 75
TPSA: 340.66 NumAromaticRings: 5

Unique Aglycone
AD54117
Formula: C49H52O8N6

Smiles:
NC1CCCC1(c1ccccc1)C1C2=C(CCC(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: 14 RingCount: 10
HBD: 11 FractionCSP3: 0.37
AlogP: 6.08 Num_rotatable_bonds: 10
MolWt: 852.99 Num_heavy_atoms: 63
TPSA: 241.28 NumAromaticRings: 5

Sugarmoiety
SD00999

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