Glycoside
...
GD152514

Name:
1-{1-amino-1H,2H,3H,3aH,9bH-cyclopenta[a]naphthalen-9b-yl}-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:
C56H62O14N6

Smiles:
NC1CCC2C=Cc3ccccc3C12C1C(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:
NC1CCC2C=Cc3ccccc3C12C1C(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: 11
HBD: 15 FractionCSP3: 0.41
AlogP: 2.99 Num_rotatable_bonds: 15
MolWt: 1043.14 Num_heavy_atoms: 76
TPSA: 340.66 NumAromaticRings: 5

Unique Aglycone
AD60723
Formula: C50H52O8N6

Smiles:
NC1CCC2C=Cc3ccccc3C12C1C(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: 10
HBD: 11 FractionCSP3: 0.34
AlogP: 6.19 Num_rotatable_bonds: 12
MolWt: 865.0 Num_heavy_atoms: 64
TPSA: 241.28 NumAromaticRings: 5

Sugarmoiety
SD00999

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