Glycoside
...
GD119380

Name:
2-[(3-hydroxy-6-{[11-hydroxy-1-(5-hydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C54H92O23

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C6(C)CC(OC7OC(CO)C(O)C(O)C7O)C(O)C(C)(C)O6)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC(O)C1O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 1.0
AlogP: -1.97 Num_rotatable_bonds: 11
MolWt: 1109.31 Num_heavy_atoms: 77
TPSA: 366.29 NumAromaticRings: 0

Unique Aglycone
AD47816
Formula: C30H52O5

Smiles:
CC1(C)OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC(O)C1O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.68 Num_rotatable_bonds: 1
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD02384

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O