Glycoside
...
GD151369

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

Formula:
C44H47O13N3

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(c4ccccc4)CCCCC3CO)C=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCCC3CO)C=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.39
AlogP: 2.18 Num_rotatable_bonds: 11
MolWt: 825.87 Num_heavy_atoms: 60
TPSA: 266.59 NumAromaticRings: 4

Unique Aglycone
AD60374
Formula: C38H37O7N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCCC3CO)C=CC21C(=O)O
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.29
AlogP: 5.39 Num_rotatable_bonds: 8
MolWt: 647.73 Num_heavy_atoms: 48
TPSA: 167.21 NumAromaticRings: 4

Sugarmoiety
SD00999

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