Glycoside
...
GD142966

Name:
2-(6-{[amino(benzylamino)methylidene]amino}-3-hydroxyhexyl)-7,8-dihydroxy-4-{3-[4-hydroxy-3-(4-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl)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:
C64H76O16N6

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)c(O)c4C4C(C56c7c(O)cccc7CCC5CCCC6CO)C(CCC(O)CCCNC(=N)NCc5ccccc5)=CC43C(=O)O)ccc2O)c2[nH]cnc21

Aglycone:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)c(O)c4C4C(C56c7c(O)cccc7CCC5CCCC6CO)C(CCC(O)CCCNC(=N)NCc5ccccc5)=CC43C(=O)O)ccc2O)c2[nH]cnc21

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

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 16 FractionCSP3: 0.47
AlogP: 4.81 Num_rotatable_bonds: 18
MolWt: 1185.34 Num_heavy_atoms: 86
TPSA: 375.19 NumAromaticRings: 5

Unique Aglycone
AD57521
Formula: C58H66O10N6

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)c(O)c4C4C(C56c7c(O)cccc7CCC5CCCC6CO)C(CCC(O)CCCNC(=N)NCc5ccccc5)=CC43C(=O)O)ccc2O)c2[nH]cnc21
HBA: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.41
AlogP: 8.02 Num_rotatable_bonds: 15
MolWt: 1007.2 Num_heavy_atoms: 74
TPSA: 275.81 NumAromaticRings: 5

Sugarmoiety
SD00999

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