Glycoside
...
GD118737

Name:
3-[(1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl)methyl]-5-hydroxy-1-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C43H47O11N3

Smiles:
O=C(O)C1C(CC23CCCCC2CCc2ccccc23)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

Aglycone:
O=C(O)C1C(CC23CCCCC2CCc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 8 FractionCSP3: 0.42
AlogP: 3.65 Num_rotatable_bonds: 10
MolWt: 781.86 Num_heavy_atoms: 57
TPSA: 226.13 NumAromaticRings: 4

Unique Aglycone
AD47275
Formula: C37H37O6N3

Smiles:
O=C(O)C1C(CC23CCCCC2CCc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1
HBA: 9 RingCount: 7
HBD: 5 FractionCSP3: 0.32
AlogP: 6.18 Num_rotatable_bonds: 7
MolWt: 619.72 Num_heavy_atoms: 46
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00003

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