Glycoside
...
GD115360

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

Formula:
C50H57O14N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCC3(O)CCCC3)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCC3(O)CCCC3)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 11 FractionCSP3: 0.46
AlogP: 4.13 Num_rotatable_bonds: 13
MolWt: 924.01 Num_heavy_atoms: 67
TPSA: 286.82 NumAromaticRings: 4

Unique Aglycone
AD45618
Formula: C44H47O8N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCC3(O)CCCC3)=CC21C(=O)O
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.39
AlogP: 7.33 Num_rotatable_bonds: 10
MolWt: 745.87 Num_heavy_atoms: 55
TPSA: 187.44 NumAromaticRings: 4

Sugarmoiety
SD00999

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