Glycoside
...
GD131072

Name:
2-[(6-{[2-({7,11-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C47H80O19

Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4OC4OCC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)CC23C)O1

Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1

Sugarmoiety:
OCC1OC(OC2COC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 1.0
AlogP: -1.21 Num_rotatable_bonds: 10
MolWt: 949.14 Num_heavy_atoms: 66
TPSA: 307.37 NumAromaticRings: 0

Unique Aglycone
AD00139
Formula: C30H52O5

Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.68 Num_rotatable_bonds: 2
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD06868

OCC1OC(OC2COC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O