Glycoside
...
GD142486

Name:
2-[(2-{[4,5-dihydroxy-2-({9-hydroxy-6-methoxy-3,3,10,10,12a,12b-hexamethyl-7-methylidene-1H,2H,3H,4H,4aH,6H,6aH,7H,7aH,8H,9H,10H,10aH,11H,12H,12aH,12bH,13H,14H,14aH-azuleno[6,5-a]phenanthren-14a-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C49H80O18

Smiles:
C=C1C2CC(O)C(C)(C)C2CCC2(C)C1C(OC)C=C1C3CC(C)(C)CCC3(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC12C

Aglycone:
C=C1C2CC(O)C(C)(C)C2CCC2(C)C1C(OC)C=C1C3CC(C)(C)CCC3(CO)CCC12C

Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.01 Num_rotatable_bonds: 11
MolWt: 957.16 Num_heavy_atoms: 67
TPSA: 287.14 NumAromaticRings: 0

Unique Aglycone
AD57335
Formula: C31H50O3

Smiles:
C=C1C2CC(O)C(C)(C)C2CCC2(C)C1C(OC)C=C1C3CC(C)(C)CCC3(CO)CCC12C
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.54 Num_rotatable_bonds: 2
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD01593

OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O