Glycoside
...
GD147501

Name:
7-hydroxy-1-(5-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl)-4-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-2-{3-hydroxy-3-[4-(hydroxymethyl)phenyl]propyl}-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C55H59O15N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)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(C34CCCCC3CCc3cccc(O)c34)C(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 12 FractionCSP3: 0.4
AlogP: 4.22 Num_rotatable_bonds: 14
MolWt: 1002.08 Num_heavy_atoms: 73
TPSA: 307.05 NumAromaticRings: 5

Unique Aglycone
AD59068
Formula: C49H49O9N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)C(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O
HBA: 12 RingCount: 9
HBD: 8 FractionCSP3: 0.33
AlogP: 7.43 Num_rotatable_bonds: 11
MolWt: 823.94 Num_heavy_atoms: 61
TPSA: 207.67 NumAromaticRings: 5

Sugarmoiety
SD00999

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