Glycoside
...
GD140059

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

Formula:
C52H58O13N6

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(C2CCC(CNc3ccc[nH]3)c3nc[nH]c32)c1

Aglycone:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CCC(CNc3ccc[nH]3)c3nc[nH]c32)c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 14 FractionCSP3: 0.4
AlogP: 3.12 Num_rotatable_bonds: 14
MolWt: 975.06 Num_heavy_atoms: 71
TPSA: 320.43 NumAromaticRings: 5

Unique Aglycone
AD56472
Formula: C46H48O7N6

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CCC(CNc3ccc[nH]3)c3nc[nH]c32)c1
HBA: 13 RingCount: 9
HBD: 10 FractionCSP3: 0.33
AlogP: 6.33 Num_rotatable_bonds: 11
MolWt: 796.92 Num_heavy_atoms: 59
TPSA: 221.05 NumAromaticRings: 5

Sugarmoiety
SD00999

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