Glycoside
...
GD145961

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7,8-dihydroxy-4-{3-[4-hydroxy-3-({4-[2-(methylamino)ethyl]-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]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C63H77O16N7

Smiles:
CNCCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)c(O)c3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(CCC(O)CCCNC(=N)NCc4ccccc4)=CC32C(=O)O)ccc1O

Aglycone:
CNCCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)c(O)c3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(CCC(O)CCCNC(=N)NCc4ccccc4)=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 17 FractionCSP3: 0.46
AlogP: 3.13 Num_rotatable_bonds: 22
MolWt: 1188.34 Num_heavy_atoms: 86
TPSA: 387.22 NumAromaticRings: 5

Unique Aglycone
AD58560
Formula: C57H67O10N7

Smiles:
CNCCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)c(O)c3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(CCC(O)CCCNC(=N)NCc4ccccc4)=CC32C(=O)O)ccc1O
HBA: 17 RingCount: 9
HBD: 13 FractionCSP3: 0.4
AlogP: 6.34 Num_rotatable_bonds: 19
MolWt: 1010.2 Num_heavy_atoms: 74
TPSA: 287.84 NumAromaticRings: 5

Sugarmoiety
SD00999

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