Glycoside
...
GD148374

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

Formula:
C54H62O15N6

Smiles:
NC1CCCC1(c1ccccc1)C1C(CC(O)CO)=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(CC(O)CO)=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: 21 RingCount: 10
HBD: 16 FractionCSP3: 0.43
AlogP: 1.7 Num_rotatable_bonds: 16
MolWt: 1035.12 Num_heavy_atoms: 75
TPSA: 360.89 NumAromaticRings: 5

Unique Aglycone
AD59373
Formula: C48H52O9N6

Smiles:
NC1CCCC1(c1ccccc1)C1C(CC(O)CO)=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: 15 RingCount: 9
HBD: 12 FractionCSP3: 0.35
AlogP: 4.91 Num_rotatable_bonds: 13
MolWt: 856.98 Num_heavy_atoms: 63
TPSA: 261.51 NumAromaticRings: 5

Sugarmoiety
SD00999

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