Glycoside
...
GD140978

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

Formula:
C42H43O12N3

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)CCCC3)C=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCC3)C=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 9 FractionCSP3: 0.36
AlogP: 2.58 Num_rotatable_bonds: 10
MolWt: 781.81 Num_heavy_atoms: 57
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD56832
Formula: C36H33O6N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCC3)C=CC21C(=O)O
HBA: 9 RingCount: 7
HBD: 5 FractionCSP3: 0.25
AlogP: 5.78 Num_rotatable_bonds: 7
MolWt: 603.68 Num_heavy_atoms: 45
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

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