Glycoside
...
GD135284

Name:
7-hydroxy-4-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-2-(3-hydroxypropyl)-1-(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:
C46H51O13N3

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)CCCCC3)C(CCCO)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCCC3)C(CCCO)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.41
AlogP: 3.11 Num_rotatable_bonds: 13
MolWt: 853.92 Num_heavy_atoms: 62
TPSA: 266.59 NumAromaticRings: 4

Unique Aglycone
AD54706
Formula: C40H41O7N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCCC3)C(CCCO)=CC21C(=O)O
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.33
AlogP: 6.32 Num_rotatable_bonds: 10
MolWt: 675.78 Num_heavy_atoms: 50
TPSA: 167.21 NumAromaticRings: 4

Sugarmoiety
SD00999

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