Glycoside
...
GD120363

Name:
1-(2-amino-1-phenylcyclopentyl)-7-hydroxy-4-(3-{4-hydroxy-3-[5-(hydroxymethyl)-4-{[(1H-pyrrol-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl]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:
C54H62O14N6

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCCO)=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1

Aglycone:
NC1CCCC1(c1ccccc1)C1C(CCCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1

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

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 15 FractionCSP3: 0.43
AlogP: 2.73 Num_rotatable_bonds: 16
MolWt: 1019.12 Num_heavy_atoms: 74
TPSA: 340.66 NumAromaticRings: 5

Unique Aglycone
AD48347
Formula: C48H52O8N6

Smiles:
NC1CCCC1(c1ccccc1)C1C(CCCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1
HBA: 14 RingCount: 9
HBD: 11 FractionCSP3: 0.35
AlogP: 5.94 Num_rotatable_bonds: 13
MolWt: 840.98 Num_heavy_atoms: 62
TPSA: 241.28 NumAromaticRings: 5

Sugarmoiety
SD00999

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