Glycoside
...
GD130095

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

Formula:
C48H53O14N3

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(CCCO)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)C(CCCO)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 11 FractionCSP3: 0.44
AlogP: 2.99 Num_rotatable_bonds: 12
MolWt: 895.96 Num_heavy_atoms: 65
TPSA: 286.82 NumAromaticRings: 4

Unique Aglycone
AD52706
Formula: C42H43O8N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)C(CCCO)=CC21C(=O)O
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.36
AlogP: 6.19 Num_rotatable_bonds: 9
MolWt: 717.82 Num_heavy_atoms: 53
TPSA: 187.44 NumAromaticRings: 4

Sugarmoiety
SD00999

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