Glycoside
...
GD137017

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a,6,6,9b,11a-pentamethyl-1-[2-methyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)oxolan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one

Formula:
C48H78O19

Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(C2CCC3(C)C4CC=C5C(CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC23C)O1

Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: -0.69 Num_rotatable_bonds: 11
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD54354
Formula: C30H48O4

Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 5.84 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00069

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