Glycoside
...
GD118729

Name:
2-({4,5-dihydroxy-2-[(4-hydroxy-6-{[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H88O23

Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CC(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

Aglycone:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

Sugarmoiety:
OCC1OC(OC2C(O)CC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 15 FractionCSP3: 0.93
AlogP: -2.67 Num_rotatable_bonds: 14
MolWt: 1105.28 Num_heavy_atoms: 77
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD00662
Formula: C30H48O4

Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.0 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD05288

OCC1OC(OC2C(O)CC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC2O)C(O)C(O)C1O