Glycoside
...
GD147046

Name:
4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl 2-hydroxy-2-(7-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-enoate

Formula:
C65H108O31

Smiles:
CC(C)=CCCC(O)(C(=O)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(C)=CCCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 10
HBD: 18 FractionCSP3: 0.95
AlogP: -4.33 Num_rotatable_bonds: 19
MolWt: 1385.55 Num_heavy_atoms: 96
TPSA: 491.97 NumAromaticRings: 0

Unique Aglycone
AD52004
Formula: C30H50O4

Smiles:
CC(C)=CCCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 6.59 Num_rotatable_bonds: 5
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD08992

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O