Glycoside
...
GD120205

Name:
1-(2-amino-1-phenylcyclopentyl)-7-hydroxy-4-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]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:
C44H48O13N4

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(Cc2cnc[nH]2)c1

Aglycone:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 12 FractionCSP3: 0.39
AlogP: 1.27 Num_rotatable_bonds: 12
MolWt: 840.88 Num_heavy_atoms: 61
TPSA: 292.61 NumAromaticRings: 4

Unique Aglycone
AD48254
Formula: C38H38O7N4

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 11 RingCount: 7
HBD: 8 FractionCSP3: 0.29
AlogP: 4.47 Num_rotatable_bonds: 9
MolWt: 662.74 Num_heavy_atoms: 49
TPSA: 193.23 NumAromaticRings: 4

Sugarmoiety
SD00999

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