Glycoside
...
GD145962

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

Formula:
C54H63O15N3

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(CCC3(O)CCCCC3)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCCC4CO)C(CCC3(O)CCCCC3)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 12 FractionCSP3: 0.5
AlogP: 3.91 Num_rotatable_bonds: 13
MolWt: 994.1 Num_heavy_atoms: 72
TPSA: 307.05 NumAromaticRings: 4

Unique Aglycone
AD58561
Formula: C48H53O9N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34c5c(O)cccc5CCC3CCCC4CO)C(CCC3(O)CCCCC3)=CC21C(=O)O
HBA: 12 RingCount: 9
HBD: 8 FractionCSP3: 0.44
AlogP: 7.11 Num_rotatable_bonds: 10
MolWt: 815.96 Num_heavy_atoms: 60
TPSA: 207.67 NumAromaticRings: 4

Sugarmoiety
SD00999

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