Glycoside
...
GD147548

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-[5-hydroxy-4-(hydroxymethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C56H61O16N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCCC4CO)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(C34c5c(O)cccc5CCC3CCCC4CO)C(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.41
AlogP: 3.44 Num_rotatable_bonds: 15
MolWt: 1032.11 Num_heavy_atoms: 75
TPSA: 327.28 NumAromaticRings: 5

Unique Aglycone
AD59085
Formula: C50H51O10N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCCC4CO)C(CCC(O)c3ccc(CO)cc3)=CC21C(=O)O
HBA: 13 RingCount: 9
HBD: 9 FractionCSP3: 0.34
AlogP: 6.65 Num_rotatable_bonds: 12
MolWt: 853.97 Num_heavy_atoms: 63
TPSA: 227.9 NumAromaticRings: 5

Sugarmoiety
SD00999

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