Glycoside
...
GD114980

Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-(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)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C49H56O13N6

Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O)c1ccccc1

Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O)c1ccccc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 14 FractionCSP3: 0.41
AlogP: 2.42 Num_rotatable_bonds: 14
MolWt: 937.02 Num_heavy_atoms: 68
TPSA: 320.43 NumAromaticRings: 5

Unique Aglycone
AD45395
Formula: C43H46O7N6

Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O)c1ccccc1
HBA: 13 RingCount: 8
HBD: 10 FractionCSP3: 0.33
AlogP: 5.63 Num_rotatable_bonds: 11
MolWt: 758.88 Num_heavy_atoms: 56
TPSA: 221.05 NumAromaticRings: 5

Sugarmoiety
SD00999

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