Glycoside
...
GD152947

Name:
7-hydroxy-4-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-2-{3-hydroxy-3-[4-(hydroxymethyl)phenyl]propyl}-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:
C53H57O15N3

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(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 12 FractionCSP3: 0.38
AlogP: 4.05 Num_rotatable_bonds: 15
MolWt: 976.04 Num_heavy_atoms: 71
TPSA: 307.05 NumAromaticRings: 5

Unique Aglycone
AD60854
Formula: C47H47O9N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O
HBA: 12 RingCount: 8
HBD: 8 FractionCSP3: 0.3
AlogP: 7.25 Num_rotatable_bonds: 12
MolWt: 797.9 Num_heavy_atoms: 59
TPSA: 207.67 NumAromaticRings: 5

Sugarmoiety
SD00999

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