Glycoside
...
GD143742

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

Formula:
C45H50O13N4

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCCO)=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(CCCO)=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: 0.4
AlogP: 1.66 Num_rotatable_bonds: 13
MolWt: 854.91 Num_heavy_atoms: 62
TPSA: 292.61 NumAromaticRings: 4

Unique Aglycone
AD57793
Formula: C39H40O7N4

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCCO)=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: 0.31
AlogP: 4.86 Num_rotatable_bonds: 10
MolWt: 676.77 Num_heavy_atoms: 50
TPSA: 193.23 NumAromaticRings: 4

Sugarmoiety
SD00999

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